(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C17H25N5OS — CID 124557774

IUPAC(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)c1
InChIInChI=1S/C17H25N5OS/c1-12-9-19-22(10-12)15-5-4-8-21(11-15)17(23)18-7-6-16-13(2)20-14(3)24-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,23)/t15-/m0/s1
InChIKeyBATPJCYEIKNAQA-HNNXBMFYSA-N
MW347.49 g/mol
LogP2.85
Rot. Bonds4

About (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 124557774) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID124557774
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)c1
InChIInChI=1S/C17H25N5OS/c1-12-9-19-22(10-12)15-5-4-8-21(11-15)17(23)18-7-6-16-13(2)20-14(3)24-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,23)/t15-/m0/s1
InChIKeyBATPJCYEIKNAQA-HNNXBMFYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001403
N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 122137381
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95280581
(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 97067014
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[(4R)-4-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95281814
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 124557774) is (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn([C@H]2CCCN(C(=O)NCCc3sc(C)nc3C)C2)c1.
What is the InChIKey of (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is BATPJCYEIKNAQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-9-19-22(10-12)15-5-4-8-21(11-15)17(23)18-7-6-16-13(2)20-14(3)24-16/h9-10,15H,4-8,11H2,1-3H3,(H,18,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124557774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).