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

C17H22ClN3OS2 — CID 119766849

IUPACN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)CC3CCCN3)c(C)c2)n1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11-8-14(23-17-19-12(2)10-22-17)5-6-15(11)20-16(21)9-13-4-3-7-18-13;/h5-6,8,10,13,18H,3-4,7,9H2,1-2H3,(H,20,21);1H
InChIKeyPOYDGUCVQKDKJQ-UHFFFAOYSA-N
MW383.97 g/mol
LogP4.41
Rot. Bonds5

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

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119766849) has the molecular formula C17H22ClN3OS2 and a molecular weight of 383.97 g/mol. Its IUPAC name is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119766849
Molecular FormulaC17H22ClN3OS2
Molecular Weight383.97 g/mol
Exact Mass383.09
IUPAC NameN-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)CC3CCCN3)c(C)c2)n1.Cl
InChIInChI=1S/C17H21N3OS2.ClH/c1-11-8-14(23-17-19-12(2)10-22-17)5-6-15(11)20-16(21)9-13-4-3-7-18-13;/h5-6,8,10,13,18H,3-4,7,9H2,1-2H3,(H,20,21);1H
InChIKeyPOYDGUCVQKDKJQ-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.97
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938453
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119313836
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylsulfanylpropanamide
CID 47093016
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119676923
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119887424

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119766849) is N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1csc(Sc2ccc(NC(=O)CC3CCCN3)c(C)c2)n1.Cl.
What is the InChIKey of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is POYDGUCVQKDKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2.ClH/c1-11-8-14(23-17-19-12(2)10-22-17)5-6-15(11)20-16(21)9-13-4-3-7-18-13;/h5-6,8,10,13,18H,3-4,7,9H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 383.97 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119766849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).