N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride

C14H18ClN3OS2 — CID 119774699

IUPACN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)C3CCNC3)sc2C)s1.Cl
InChIInChI=1S/C14H17N3OS2.ClH/c1-8-3-4-11(19-8)12-9(2)20-14(16-12)17-13(18)10-5-6-15-7-10;/h3-4,10,15H,5-7H2,1-2H3,(H,16,17,18);1H
InChIKeyQWZVMKXDKJGOCO-UHFFFAOYSA-N
MW343.91 g/mol
LogP3.46
Rot. Bonds3

About N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119774699) has the molecular formula C14H18ClN3OS2 and a molecular weight of 343.91 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119774699
Molecular FormulaC14H18ClN3OS2
Molecular Weight343.91 g/mol
Exact Mass343.06
IUPAC NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)C3CCNC3)sc2C)s1.Cl
InChIInChI=1S/C14H17N3OS2.ClH/c1-8-3-4-11(19-8)12-9(2)20-14(16-12)17-13(18)10-5-6-15-7-10;/h3-4,10,15H,5-7H2,1-2H3,(H,16,17,18);1H
InChIKeyQWZVMKXDKJGOCO-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.91
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 120954783
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 119273428
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 167673076
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119774699) is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(-c2nc(NC(=O)C3CCNC3)sc2C)s1.Cl.
What is the InChIKey of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QWZVMKXDKJGOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2.ClH/c1-8-3-4-11(19-8)12-9(2)20-14(16-12)17-13(18)10-5-6-15-7-10;/h3-4,10,15H,5-7H2,1-2H3,(H,16,17,18);1H.
What are the key properties of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 343.91 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119774699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).