[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone

C19H24FN3O2S — CID 87160411

IUPAC[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCCC(C)[C@@H]3C)c(C)s2)cc1F
InChIInChI=1S/C19H24FN3O2S/c1-11-6-5-9-23(12(11)2)18(24)17-13(3)26-19(22-17)21-14-7-8-16(25-4)15(20)10-14/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,22)/t11?,12-/m0/s1
InChIKeyZTJBFBVVONVSQZ-KIYNQFGBSA-N
MW377.49 g/mol
LogP4.60
Rot. Bonds4

About [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone

[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 87160411) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone
PubChem CID87160411
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCCC(C)[C@@H]3C)c(C)s2)cc1F
InChIInChI=1S/C19H24FN3O2S/c1-11-6-5-9-23(12(11)2)18(24)17-13(3)26-19(22-17)21-14-7-8-16(25-4)15(20)10-14/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,22)/t11?,12-/m0/s1
InChIKeyZTJBFBVVONVSQZ-KIYNQFGBSA-N
XLogP4.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
CID 156825768
[2-(4-chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-[(2S,3S)-2,3-dimethylpiperidin-1-yl]methanone
CID 71818575
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
N-(3-fluoro-4-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168491
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
CID 106561849
4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
CID 11431395
N-(2,6-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 43380623
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone (CID 87160411) is [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone is COc1ccc(Nc2nc(C(=O)N3CCCC(C)[C@@H]3C)c(C)s2)cc1F.
What is the InChIKey of [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is ZTJBFBVVONVSQZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-11-6-5-9-23(12(11)2)18(24)17-13(3)26-19(22-17)21-14-7-8-16(25-4)15(20)10-14/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,22)/t11?,12-/m0/s1.
What are the key properties of [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
[(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dimethylpiperidin-1-yl]-[2-(3-fluoro-4-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 87160411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).