5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide

C10H8ClN3OS — CID 129219489

IUPAC5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2)nsc1N
InChIInChI=1S/C10H8ClN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyPUKYGTYARUOFGU-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide

5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide (PubChem CID 129219489) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
PubChem CID129219489
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2)nsc1N
InChIInChI=1S/C10H8ClN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyPUKYGTYARUOFGU-UHFFFAOYSA-N
XLogP2.14
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide (CID 129219489) is 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide is NC(=O)c1c(-c2ccc(Cl)cc2)nsc1N.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is PUKYGTYARUOFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15).
What are the key properties of 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 129219489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).