2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride

C15H22Cl2N4OS — CID 119388980

IUPAC2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-7-8-21-15)14(20)18-12-3-5-16-6-4-12;;/h7-9,12,16H,3-6H2,1-2H3,(H,18,20);2*1H
InChIKeyDFDRSXWNLVODKO-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.88
Rot. Bonds3

About 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride

2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride (PubChem CID 119388980) has the molecular formula C15H22Cl2N4OS and a molecular weight of 377.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
PubChem CID119388980
Molecular FormulaC15H22Cl2N4OS
Molecular Weight377.34 g/mol
Exact Mass376.09
IUPAC Name2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNCC2)c(C)n1-c1nccs1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-7-8-21-15)14(20)18-12-3-5-16-6-4-12;;/h7-9,12,16H,3-6H2,1-2H3,(H,18,20);2*1H
InChIKeyDFDRSXWNLVODKO-UHFFFAOYSA-N
XLogP2.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.88
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-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119536671
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
N-(1-benzylpiperidin-3-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78897706
2,5-dimethyl-N-methylsulfonyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 146154693
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium
CID 8909636
2,5-dimethyl-N-(1-methylcyclobutyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 136517728
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 119523935
(4-aminopiperidin-1-yl)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone;dihydrochloride
CID 119375646
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride (CID 119388980) is 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride is Cc1cc(C(=O)NC2CCNCC2)c(C)n1-c1nccs1.Cl.Cl.
What is the InChIKey of 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
The InChIKey is DFDRSXWNLVODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.2ClH/c1-10-9-13(11(2)19(10)15-17-7-8-21-15)14(20)18-12-3-5-16-6-4-12;;/h7-9,12,16H,3-6H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride?
2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 377.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119388980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).