(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone

C17H14N2OS — CID 122187242

IUPAC(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyZFFONJXVKOIMJJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.43
Rot. Bonds4

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

(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone (PubChem CID 122187242) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
PubChem CID122187242
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyZFFONJXVKOIMJJ-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pha-690509
CID 9902100
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
(2-Anilino-1,3-thiazol-5-yl)(3,4-dichlorophenyl)methanone
CID 1482538
[2-(3,4-Dichloroanilino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485936
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
3-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide
CID 16068530

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone (CID 122187242) is (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The InChIKey is ZFFONJXVKOIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone has a molecular weight of 294.38 g/mol, XLogP of 4.43, 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)-(2-methylphenyl)methanone is sourced from PubChem (CID 122187242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).