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

C11H11ClN4OS — CID 103380000

IUPAC3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c12-7-3-1-2-6(4-7)5-15-11-8(10(14)17)9(13)16-18-11/h1-4,15H,5H2,(H2,13,16)(H2,14,17)
InChIKeyXIOQGBHPAFETOC-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.09
Rot. Bonds4

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

3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103380000) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103380000
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c12-7-3-1-2-6(4-7)5-15-11-8(10(14)17)9(13)16-18-11/h1-4,15H,5H2,(H2,13,16)(H2,14,17)
InChIKeyXIOQGBHPAFETOC-UHFFFAOYSA-N
XLogP2.09
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106
5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361005
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-5-(4-phenylbutan-2-ylamino)-1,2-thiazole-4-carboxamide
CID 103379227
3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 106044447
3-amino-5-[2-(1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103380154
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide (CID 103380000) is 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide is NC(=O)c1c(N)nsc1NCc1cccc(Cl)c1.
What is the InChIKey of 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is XIOQGBHPAFETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-7-3-1-2-6(4-7)5-15-11-8(10(14)17)9(13)16-18-11/h1-4,15H,5H2,(H2,13,16)(H2,14,17).
What are the key properties of 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).