N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C16H20ClN3OS — CID 119759367

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1csc(-c2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-10-21-16(18-11)12-4-6-13(7-5-12)19-15(20)9-14-3-2-8-17-14;/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,19,20);1H
InChIKeyZQJQYPGLWFPCNU-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.62
Rot. Bonds4

About N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119759367) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119759367
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1csc(-c2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-10-21-16(18-11)12-4-6-13(7-5-12)19-15(20)9-14-3-2-8-17-14;/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,19,20);1H
InChIKeyZQJQYPGLWFPCNU-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
2-pyrrolidin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788965
N-[4-(1H-pyrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366016
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119759367) is N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1csc(-c2ccc(NC(=O)CC3CCCN3)cc2)n1.Cl.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is ZQJQYPGLWFPCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-11-10-21-16(18-11)12-4-6-13(7-5-12)19-15(20)9-14-3-2-8-17-14;/h4-7,10,14,17H,2-3,8-9H2,1H3,(H,19,20);1H.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 337.88 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119759367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).