3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine

C18H17Cl2N5S2 — CID 3884823

About 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine

3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine (PubChem CID 3884823) has the molecular formula C18H17Cl2N5S2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine
• PubChem CID: 3884823
• Molecular Formula: C18H17Cl2N5S2
• Molecular Weight: 438.41 g/mol
• Exact Mass: 437.03
• IUPAC Name: 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine
• SMILES: Clc1cnc(NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c(Cl)c1
• InChI: InChI=1S/C18H17Cl2N5S2/c19-12-9-13(20)17(21-10-12)24-22-11-15-16(14-5-4-8-26-14)23-18(27-15)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H,21,24)
• InChIKey: QEWIVNOVGSONRQ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 53.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.41
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine?

The IUPAC name of 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine (CID 3884823) is 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine.

What is the SMILES notation for 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine?

The canonical SMILES for 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine is Clc1cnc(NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c(Cl)c1.

What is the InChIKey of 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine?

The InChIKey is QEWIVNOVGSONRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5S2/c19-12-9-13(20)17(21-10-12)24-22-11-15-16(14-5-4-8-26-14)23-18(27-15)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H,21,24).

What are the key properties of 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine?

3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine has a molecular weight of 438.41 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 3884823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).