(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

C16H17N3O3S — CID 97063717

IUPAC(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)cc1
InChIInChI=1S/C16H17N3O3S/c1-22-12-5-2-10(3-6-12)13-9-23-16(18-13)19-15(21)11-4-7-14(20)17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,20)(H,18,19,21)/t11-/m0/s1
InChIKeyNCOQIZHBWMDYQJ-NSHDSACASA-N
MW331.40 g/mol
LogP2.28
Rot. Bonds4

About (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 97063717) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID97063717
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)cc1
InChIInChI=1S/C16H17N3O3S/c1-22-12-5-2-10(3-6-12)13-9-23-16(18-13)19-15(21)11-4-7-14(20)17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,20)(H,18,19,21)/t11-/m0/s1
InChIKeyNCOQIZHBWMDYQJ-NSHDSACASA-N
XLogP2.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 157015729
trans-(1S,2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1226249
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
CID 95160498
(3R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8747521
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119679962
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (CID 97063717) is (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is COc1ccc(-c2csc(NC(=O)[C@H]3CCC(=O)NC3)n2)cc1.
What is the InChIKey of (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NCOQIZHBWMDYQJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-12-5-2-10(3-6-12)13-9-23-16(18-13)19-15(21)11-4-7-14(20)17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,20)(H,18,19,21)/t11-/m0/s1.
What are the key properties of (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97063717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).