N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C20H23N3O2S — CID 58933589

IUPACN-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)C2C[C@@H]2c2ccccc2)CC1)c1cscn1
InChIInChI=1S/C20H23N3O2S/c24-19(18-12-26-13-22-18)21-11-14-6-8-23(9-7-14)20(25)17-10-16(17)15-4-2-1-3-5-15/h1-5,12-14,16-17H,6-11H2,(H,21,24)/t16-,17?/m1/s1
InChIKeyCVSOMBFZJQLNSW-TZHYSIJRSA-N
MW369.49 g/mol
LogP2.92
Rot. Bonds5

About N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58933589) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID58933589
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)C2C[C@@H]2c2ccccc2)CC1)c1cscn1
InChIInChI=1S/C20H23N3O2S/c24-19(18-12-26-13-22-18)21-11-14-6-8-23(9-7-14)20(25)17-10-16(17)15-4-2-1-3-5-15/h1-5,12-14,16-17H,6-11H2,(H,21,24)/t16-,17?/m1/s1
InChIKeyCVSOMBFZJQLNSW-TZHYSIJRSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-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

4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 95582058
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135717
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]-2-fluoropyridine-4-carboxamide
CID 58933843

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58933589) is N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(C(=O)C2C[C@@H]2c2ccccc2)CC1)c1cscn1.
What is the InChIKey of N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CVSOMBFZJQLNSW-TZHYSIJRSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(18-12-26-13-22-18)21-11-14-6-8-23(9-7-14)20(25)17-10-16(17)15-4-2-1-3-5-15/h1-5,12-14,16-17H,6-11H2,(H,21,24)/t16-,17?/m1/s1.
What are the key properties of N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58933589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).