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

C13H16Cl3N3OS2 — CID 119554017

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H14ClN3OS2.2ClH/c1-17(8-4-5-15-6-8)13(18)9-7-19-12(16-9)10-2-3-11(14)20-10;;/h2-3,7-8,15H,4-6H2,1H3;2*1H
InChIKeyKWSUKVPFJAKFIJ-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.80
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119554017) has the molecular formula C13H16Cl3N3OS2 and a molecular weight of 400.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119554017
Molecular FormulaC13H16Cl3N3OS2
Molecular Weight400.78 g/mol
Exact Mass398.98
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H14ClN3OS2.2ClH/c1-17(8-4-5-15-6-8)13(18)9-7-19-12(16-9)10-2-3-11(14)20-10;;/h2-3,7-8,15H,4-6H2,1H3;2*1H
InChIKeyKWSUKVPFJAKFIJ-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119533102
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
2-(5-chlorothiophen-2-yl)-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide
CID 47391839
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
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-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119554017) is 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is KWSUKVPFJAKFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS2.2ClH/c1-17(8-4-5-15-6-8)13(18)9-7-19-12(16-9)10-2-3-11(14)20-10;;/h2-3,7-8,15H,4-6H2,1H3;2*1H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 400.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119554017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).