2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C19H22ClN3OS — CID 55477948

IUPAC2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C1CC1c1ccccc1Cl
InChIInChI=1S/C19H22ClN3OS/c20-17-7-3-2-6-14(17)15-10-16(15)18(24)22-19-21-13(12-25-19)11-23-8-4-1-5-9-23/h2-3,6-7,12,15-16H,1,4-5,8-11H2,(H,21,22,24)
InChIKeyBWVPOPIULWAWBM-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.52
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 55477948) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID55477948
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C1CC1c1ccccc1Cl
InChIInChI=1S/C19H22ClN3OS/c20-17-7-3-2-6-14(17)15-10-16(15)18(24)22-19-21-13(12-25-19)11-23-8-4-1-5-9-23/h2-3,6-7,12,15-16H,1,4-5,8-11H2,(H,21,22,24)
InChIKeyBWVPOPIULWAWBM-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 40973916
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119998726
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
benzyl N-[(1R,3R)-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl]carbamate
CID 99783567
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 30184342
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 55477948) is 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is BWVPOPIULWAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c20-17-7-3-2-6-14(17)15-10-16(15)18(24)22-19-21-13(12-25-19)11-23-8-4-1-5-9-23/h2-3,6-7,12,15-16H,1,4-5,8-11H2,(H,21,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 375.93 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55477948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).