3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide

C18H22ClN3OS — CID 90597302

IUPAC3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(CCC(=O)NC2CCN(c3nccs3)CC2)ccc1Cl
InChIInChI=1S/C18H22ClN3OS/c1-13-12-14(2-4-16(13)19)3-5-17(23)21-15-6-9-22(10-7-15)18-20-8-11-24-18/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3,(H,21,23)
InChIKeyJKUKYHUEIINUHO-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.82
Rot. Bonds5

About 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide

3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 90597302) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID90597302
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(CCC(=O)NC2CCN(c3nccs3)CC2)ccc1Cl
InChIInChI=1S/C18H22ClN3OS/c1-13-12-14(2-4-16(13)19)3-5-17(23)21-15-6-9-22(10-7-15)18-20-8-11-24-18/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3,(H,21,23)
InChIKeyJKUKYHUEIINUHO-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 71810033
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 90621705
3-(4-chloro-3-fluorophenyl)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619449
3-(4-fluoro-3-methylphenyl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874628

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (CID 90597302) is 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is Cc1cc(CCC(=O)NC2CCN(c3nccs3)CC2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is JKUKYHUEIINUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13-12-14(2-4-16(13)19)3-5-17(23)21-15-6-9-22(10-7-15)18-20-8-11-24-18/h2,4,8,11-12,15H,3,5-7,9-10H2,1H3,(H,21,23).
What are the key properties of 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 363.91 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 90597302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).