(2-anilino-1,3-thiazol-5-yl)-phenylmethanone

C16H12N2OS — CID 1482526

IUPAC(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H12N2OS/c19-15(12-7-3-1-4-8-12)14-11-17-16(20-14)18-13-9-5-2-6-10-13/h1-11H,(H,17,18)
InChIKeyJLFJYYOGASICIR-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.12
Rot. Bonds4

About (2-anilino-1,3-thiazol-5-yl)-phenylmethanone

(2-anilino-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 1482526) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID1482526
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H12N2OS/c19-15(12-7-3-1-4-8-12)14-11-17-16(20-14)18-13-9-5-2-6-10-13/h1-11H,(H,17,18)
InChIKeyJLFJYYOGASICIR-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
(3-bromophenyl)-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 87869650
(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
CID 91203286
[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzamide
CID 87854282
(2,6-dichlorophenyl)-[2-(3-methylanilino)-1,3-thiazol-5-yl]methanone
CID 142932234
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
CID 158841854
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-phenylmethanone (CID 1482526) is (2-anilino-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is JLFJYYOGASICIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15(12-7-3-1-4-8-12)14-11-17-16(20-14)18-13-9-5-2-6-10-13/h1-11H,(H,17,18).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-phenylmethanone?
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 280.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 1482526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).