2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C15H18Cl3N3OS — CID 119452782

IUPAC2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C15H16ClN3OS.2ClH/c1-9-13(14(20)19-12-6-7-17-8-12)21-15(18-9)10-2-4-11(16)5-3-10;;/h2-5,12,17H,6-8H2,1H3,(H,19,20);2*1H
InChIKeyOHMZKKZIEMZUES-UHFFFAOYSA-N
MW394.76 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119452782) has the molecular formula C15H18Cl3N3OS and a molecular weight of 394.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119452782
Molecular FormulaC15H18Cl3N3OS
Molecular Weight394.76 g/mol
Exact Mass393.02
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCNC1.Cl.Cl
InChIInChI=1S/C15H16ClN3OS.2ClH/c1-9-13(14(20)19-12-6-7-17-8-12)21-15(18-9)10-2-4-11(16)5-3-10;;/h2-5,12,17H,6-8H2,1H3,(H,19,20);2*1H
InChIKeyOHMZKKZIEMZUES-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424509
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451531
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532106
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
4-methyl-N-pyrrolidin-3-yl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 119451532

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119452782) is 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CCNC1.Cl.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is OHMZKKZIEMZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS.2ClH/c1-9-13(14(20)19-12-6-7-17-8-12)21-15(18-9)10-2-4-11(16)5-3-10;;/h2-5,12,17H,6-8H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 394.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119452782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).