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

C16H20ClN3OS — CID 119676923

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CCCN3)n2)cc1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-4-6-12(7-5-11)14-10-21-16(18-14)19-15(20)9-13-3-2-8-17-13;/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,19,20);1H
InChIKeyGTUSJHMSPDWVAN-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.62
Rot. Bonds4

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119676923) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119676923
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)CC3CCCN3)n2)cc1.Cl
InChIInChI=1S/C16H19N3OS.ClH/c1-11-4-6-12(7-5-11)14-10-21-16(18-14)19-15(20)9-13-3-2-8-17-13;/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,19,20);1H
InChIKeyGTUSJHMSPDWVAN-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-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
methyl 4-[2-[(2-pyrrolidin-2-ylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702186
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
2-cyclohexyloxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 167863923
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119676923) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)CC3CCCN3)n2)cc1.Cl.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is GTUSJHMSPDWVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.ClH/c1-11-4-6-12(7-5-11)14-10-21-16(18-14)19-15(20)9-13-3-2-8-17-13;/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,19,20);1H.
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-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-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119676923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).