N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C104H90Cl2F8N24S6 — CID 172938992

About N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 172938992) has the molecular formula C104H90Cl2F8N24S6 and a molecular weight of 2091.32 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 172938992
• Molecular Formula: C104H90Cl2F8N24S6
• Molecular Weight: 2091.32 g/mol
• Exact Mass: 2088.54
• IUPAC Name: N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• SMILES: Clc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Clc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.FC(F)(F)c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.FC(F)(F)c1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.Fc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Fc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3
• InChI: InChI=1S/2C18H15F3N4S.2C17H15ClN4S.2C17H15FN4S/c19-18(20,21)13-7-3-1-5-11(13)9-24-25-16-15-12-6-2-4-8-14(12)26-17(15)23-10-22-16;19-18(20,21)12-7-5-11(6-8-12)9-24-25-16-15-13-3-1-2-4-14(13)26-17(15)23-10-22-16;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;18-12-7-5-11(6-8-12)9-21-22-16-15-13-3-1-2-4-14(13)23-17(15)20-10-19-16;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;18-12-7-5-11(6-8-12)9-21-22-16-15-13-3-1-2-4-14(13)23-17(15)20-10-19-16/h1,3,5,7,9-10H,2,4,6,8H2,(H,22,23,25);5-10H,1-4H2,(H,22,23,25);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);5-10H,1-4H2,(H,19,20,22);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);5-10H,1-4H2,(H,19,20,22)/b2*24-9-;4*21-9-
• InChIKey: UWCUAOXDWGAUDJ-BXVBAGBSSA-N
• XLogP: 27.72
• TPSA: 301.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.32
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 172938992) is N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is Clc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Clc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.FC(F)(F)c1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.FC(F)(F)c1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.Fc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1.Fc1ccccc1/C=N\Nc1ncnc2sc3c(c12)CCCC3.

What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The InChIKey is UWCUAOXDWGAUDJ-BXVBAGBSSA-N. The full InChI is InChI=1S/2C18H15F3N4S.2C17H15ClN4S.2C17H15FN4S/c19-18(20,21)13-7-3-1-5-11(13)9-24-25-16-15-12-6-2-4-8-14(12)26-17(15)23-10-22-16;19-18(20,21)12-7-5-11(6-8-12)9-24-25-16-15-13-3-1-2-4-14(13)26-17(15)23-10-22-16;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;18-12-7-5-11(6-8-12)9-21-22-16-15-13-3-1-2-4-14(13)23-17(15)20-10-19-16;18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16;18-12-7-5-11(6-8-12)9-21-22-16-15-13-3-1-2-4-14(13)23-17(15)20-10-19-16/h1,3,5,7,9-10H,2,4,6,8H2,(H,22,23,25);5-10H,1-4H2,(H,22,23,25);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);5-10H,1-4H2,(H,19,20,22);1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22);5-10H,1-4H2,(H,19,20,22)/b2*24-9-;4*21-9-.

What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2091.32 g/mol, XLogP of 27.72, 18 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-chlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(2-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-(4-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172938992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).