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

C15H18ClN3OS — CID 119282737

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)C2CCCN2)n1.Cl
InChIInChI=1S/C15H17N3OS.ClH/c1-10-5-2-3-6-11(10)13-9-20-15(17-13)18-14(19)12-7-4-8-16-12;/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,17,18,19);1H
InChIKeyPVLFHJUUECCODD-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.23
Rot. Bonds3

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

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119282737) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119282737
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1-c1csc(NC(=O)C2CCCN2)n1.Cl
InChIInChI=1S/C15H17N3OS.ClH/c1-10-5-2-3-6-11(10)13-9-20-15(17-13)18-14(19)12-7-4-8-16-12;/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,17,18,19);1H
InChIKeyPVLFHJUUECCODD-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119282743
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119317540
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119270252
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119282737) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is Cc1ccccc1-c1csc(NC(=O)C2CCCN2)n1.Cl.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PVLFHJUUECCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.ClH/c1-10-5-2-3-6-11(10)13-9-20-15(17-13)18-14(19)12-7-4-8-16-12;/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,17,18,19);1H.
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 323.85 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119282737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).