N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C18H22ClN3OS — CID 110387104

IUPACN-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3OS/c1-13-17(24-16(21-13)12-22-10-2-3-11-22)18(23)20-9-8-14-4-6-15(19)7-5-14/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyOUCYSKPLBAKQEU-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387104) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387104
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCC2)sc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3OS/c1-13-17(24-16(21-13)12-22-10-2-3-11-22)18(23)20-9-8-14-4-6-15(19)7-5-14/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyOUCYSKPLBAKQEU-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387103
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387104) is N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCCC2)sc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OUCYSKPLBAKQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13-17(24-16(21-13)12-22-10-2-3-11-22)18(23)20-9-8-14-4-6-15(19)7-5-14/h4-7H,2-3,8-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).