[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone

C18H15FN2OS — CID 168770997

IUPAC[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1cc(F)ccc1Nc1nc(C)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H15FN2OS/c1-11-10-14(19)8-9-15(11)21-18-20-12(2)17(23-18)16(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChIKeyLHFABIUCGDKOSK-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.87
Rot. Bonds4

About [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone

[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 168770997) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID168770997
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1cc(F)ccc1Nc1nc(C)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H15FN2OS/c1-11-10-14(19)8-9-15(11)21-18-20-12(2)17(23-18)16(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)
InChIKeyLHFABIUCGDKOSK-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
2-(2-bromo-4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570556
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
ethyl 2-(4-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526425
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
1,3-benzodioxol-5-yl-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 11964460
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone (CID 168770997) is [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone is Cc1cc(F)ccc1Nc1nc(C)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is LHFABIUCGDKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-11-10-14(19)8-9-15(11)21-18-20-12(2)17(23-18)16(22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21).
What are the key properties of [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone?
[2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 326.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methylanilino)-4-methyl-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 168770997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).