3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

C15H12N4OS — CID 58791547

IUPAC3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-3-1-5-12(7-10)18-15-19-13(9-21-15)11-4-2-6-17-8-11/h1-9H,(H2,16,20)(H,18,19)
InChIKeyAOCMJRYVSYFBEL-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.05
Rot. Bonds4

About 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide

3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 58791547) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID58791547
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C15H12N4OS/c16-14(20)10-3-1-5-12(7-10)18-15-19-13(9-21-15)11-4-2-6-17-8-11/h1-9H,(H2,16,20)(H,18,19)
InChIKeyAOCMJRYVSYFBEL-UHFFFAOYSA-N
XLogP3.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636
methyl 3-[[4-[5-[2-(3-methoxycarbonylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzoate
CID 139227752
3-[[4-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 156506787
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
phenyl-[[4-[[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]carbamic acid
CID 87578987
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 87078195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (CID 58791547) is 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is NC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is AOCMJRYVSYFBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14(20)10-3-1-5-12(7-10)18-15-19-13(9-21-15)11-4-2-6-17-8-11/h1-9H,(H2,16,20)(H,18,19).
What are the key properties of 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 58791547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).