[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

C18H23N3OS — CID 97150010

IUPAC[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-13-15(23-17(19-3)20-13)16(22)21-11-7-10-18(2,12-21)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyKEOCOKUXBURWCF-GOSISDBHSA-N
MW329.47 g/mol
LogP3.69
Rot. Bonds3

About [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (PubChem CID 97150010) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
PubChem CID97150010
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)s1
InChIInChI=1S/C18H23N3OS/c1-13-15(23-17(19-3)20-13)16(22)21-11-7-10-18(2,12-21)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyKEOCOKUXBURWCF-GOSISDBHSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70770639
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (CID 97150010) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is CNc1nc(C)c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)s1.
What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The InChIKey is KEOCOKUXBURWCF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-15(23-17(19-3)20-13)16(22)21-11-7-10-18(2,12-21)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t18-/m1/s1.
What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 97150010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).