4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine

C14H11ClN4S2 — CID 86288954

IUPAC4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1nccs1
InChIInChI=1S/C14H11ClN4S2/c1-9(13-16-6-7-20-13)18-19-14-17-12(8-21-14)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,19)/b18-9-
InChIKeySPWUSGVHSBPAJT-NVMNQCDNSA-N
MW334.86 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 86288954) has the molecular formula C14H11ClN4S2 and a molecular weight of 334.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID86288954
Molecular FormulaC14H11ClN4S2
Molecular Weight334.86 g/mol
Exact Mass334.01
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1nccs1
InChIInChI=1S/C14H11ClN4S2/c1-9(13-16-6-7-20-13)18-19-14-17-12(8-21-14)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,19)/b18-9-
InChIKeySPWUSGVHSBPAJT-NVMNQCDNSA-N
XLogP4.76
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 86288954) is 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(Cl)cc2)cs1)c1nccs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is SPWUSGVHSBPAJT-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H11ClN4S2/c1-9(13-16-6-7-20-13)18-19-14-17-12(8-21-14)10-2-4-11(15)5-3-10/h2-8H,1H3,(H,17,19)/b18-9-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 334.86 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 86288954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).