2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride

C16H24Cl2N4OS — CID 119536671

IUPAC2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCCC2CCNC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-11-9-14(12(2)20(11)16-19-7-8-22-16)15(21)18-6-4-13-3-5-17-10-13;;/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,21);2*1H
InChIKeyRSBYBLIETMAALA-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.12
Rot. Bonds5

About 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride

2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride (PubChem CID 119536671) has the molecular formula C16H24Cl2N4OS and a molecular weight of 391.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
PubChem CID119536671
Molecular FormulaC16H24Cl2N4OS
Molecular Weight391.37 g/mol
Exact Mass390.10
IUPAC Name2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCCC2CCNC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-11-9-14(12(2)20(11)16-19-7-8-22-16)15(21)18-6-4-13-3-5-17-10-13;;/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,21);2*1H
InChIKeyRSBYBLIETMAALA-UHFFFAOYSA-N
XLogP3.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-piperidin-3-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119427645
2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119388980
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
2,5-dimethyl-N-[2-(methylamino)propyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 120826611
N-(3-ethyl-2-hydroxypentyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 111116021
2,5-dimethyl-N-[(4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983280
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
1-[[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543872
(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119375646

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride (CID 119536671) is 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride is Cc1cc(C(=O)NCCC2CCNC2)c(C)n1-c1nccs1.Cl.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The InChIKey is RSBYBLIETMAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.2ClH/c1-11-9-14(12(2)20(11)16-19-7-8-22-16)15(21)18-6-4-13-3-5-17-10-13;;/h7-9,13,17H,3-6,10H2,1-2H3,(H,18,21);2*1H.
What are the key properties of 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 391.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119536671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).