5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine

C13H9ClN2S2 — CID 82106545

IUPAC5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccsc2)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H9ClN2S2/c14-10-3-1-2-8(6-10)12-11(16-13(15)18-12)9-4-5-17-7-9/h1-7H,(H2,15,16)
InChIKeyZMSIAVZNKNJXAP-UHFFFAOYSA-N
MW292.82 g/mol
LogP4.77
Rot. Bonds2

About 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine

5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine (PubChem CID 82106545) has the molecular formula C13H9ClN2S2 and a molecular weight of 292.82 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
PubChem CID82106545
Molecular FormulaC13H9ClN2S2
Molecular Weight292.82 g/mol
Exact Mass291.99
IUPAC Name5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccsc2)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H9ClN2S2/c14-10-3-1-2-8(6-10)12-11(16-13(15)18-12)9-4-5-17-7-9/h1-7H,(H2,15,16)
InChIKeyZMSIAVZNKNJXAP-UHFFFAOYSA-N
XLogP4.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_L(1)', 'substructure': 'N/A'}

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Related Compounds

5-[2-(1-aminocyclohexyl)-4-pyridinyl]-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 87896523
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 84700893
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 88924571
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-thiophen-3-ylpyridine
CID 15754465
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 88566066

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine (CID 82106545) is 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine is Nc1nc(-c2ccsc2)c(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine?
The InChIKey is ZMSIAVZNKNJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S2/c14-10-3-1-2-8(6-10)12-11(16-13(15)18-12)9-4-5-17-7-9/h1-7H,(H2,15,16).
What are the key properties of 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine?
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine has a molecular weight of 292.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82106545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).