N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide

C15H16ClN3OS — CID 119676880

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS/c16-12-6-2-1-5-11(12)13-9-21-15(18-13)19-14(20)8-10-4-3-7-17-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,18,19,20)
InChIKeyWNSGGKAFNXHLHT-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.54
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119676880) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119676880
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS/c16-12-6-2-1-5-11(12)13-9-21-15(18-13)19-14(20)8-10-4-3-7-17-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,18,19,20)
InChIKeyWNSGGKAFNXHLHT-UHFFFAOYSA-N
XLogP3.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119935123
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935122
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702186
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936390
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide (CID 119676880) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is WNSGGKAFNXHLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-6-2-1-5-11(12)13-9-21-15(18-13)19-14(20)8-10-4-3-7-17-10/h1-2,5-6,9-10,17H,3-4,7-8H2,(H,18,19,20).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 321.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119676880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).