4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C15H13N5OS — CID 44621369

IUPAC4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccccc2)sc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H13N5OS/c16-13-12(14(21)18-11-7-4-8-17-9-11)22-15(20-13)19-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,21)(H,19,20)
InChIKeyBVSMBNBCGBBWGK-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.12
Rot. Bonds4

About 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 44621369) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID44621369
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESNc1nc(Nc2ccccc2)sc1C(=O)Nc1cccnc1
InChIInChI=1S/C15H13N5OS/c16-13-12(14(21)18-11-7-4-8-17-9-11)22-15(20-13)19-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,21)(H,19,20)
InChIKeyBVSMBNBCGBBWGK-UHFFFAOYSA-N
XLogP3.12
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 73347326
4-amino-2-piperidin-1-yl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 116667887
4-amino-2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667442
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 23102164
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 71662401
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 44621369) is 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Nc1nc(Nc2ccccc2)sc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BVSMBNBCGBBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-13-12(14(21)18-11-7-4-8-17-9-11)22-15(20-13)19-10-5-2-1-3-6-10/h1-9H,16H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44621369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).