N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C14H19Cl2N3OS2 — CID 119444395

IUPACN-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-17(10-4-6-15-7-5-10)14(18)11-9-20-13(16-11)12-3-2-8-19-12;;/h2-3,8-10,15H,4-7H2,1H3;2*1H
InChIKeyIQXJQKPXHAGRAD-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.54
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride

N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119444395) has the molecular formula C14H19Cl2N3OS2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119444395
Molecular FormulaC14H19Cl2N3OS2
Molecular Weight380.37 g/mol
Exact Mass379.03
IUPAC NameN-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H17N3OS2.2ClH/c1-17(10-4-6-15-7-5-10)14(18)11-9-20-13(16-11)12-3-2-8-19-12;;/h2-3,8-10,15H,4-7H2,1H3;2*1H
InChIKeyIQXJQKPXHAGRAD-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119554017
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831
1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539913
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263
N-methyl-N-[(3R)-pyrrolidin-3-yl]thiophene-2-carboxamide
CID 71640939
1-(3-fluorophenyl)-N-methyl-N-piperidin-4-yl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119442904

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119444395) is N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CN(C(=O)c1csc(-c2cccs2)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is IQXJQKPXHAGRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2.2ClH/c1-17(10-4-6-15-7-5-10)14(18)11-9-20-13(16-11)12-3-2-8-19-12;;/h2-3,8-10,15H,4-7H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 380.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119444395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).