phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone

C21H15N3OS — CID 12568925

IUPACphenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1sc(Nc2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-19(16-10-5-2-6-11-16)20-18(15-8-3-1-4-9-15)24-21(26-20)23-17-12-7-13-22-14-17/h1-14H,(H,23,24)
InChIKeySVXNHGSHHOKOST-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.18
Rot. Bonds5

About phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone

phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 12568925) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
PubChem CID12568925
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Namephenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1sc(Nc2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-19(16-10-5-2-6-11-16)20-18(15-8-3-1-4-9-15)24-21(26-20)23-17-12-7-13-22-14-17/h1-14H,(H,23,24)
InChIKeySVXNHGSHHOKOST-UHFFFAOYSA-N
XLogP5.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
4-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 135127906
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 73347326
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 84583050
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112812503
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4675866
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone (CID 12568925) is phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone is O=C(c1ccccc1)c1sc(Nc2cccnc2)nc1-c1ccccc1.
What is the InChIKey of phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is SVXNHGSHHOKOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-19(16-10-5-2-6-11-16)20-18(15-8-3-1-4-9-15)24-21(26-20)23-17-12-7-13-22-14-17/h1-14H,(H,23,24).
What are the key properties of phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone?
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 12568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).