2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C14H19Cl2N3O2S — CID 120602125

IUPAC2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2csc(-c3ccoc3)n2)CCN1.Cl.Cl
InChIInChI=1S/C14H17N3O2S.2ClH/c1-9-6-11(2-4-15-9)16-13(18)12-8-20-14(17-12)10-3-5-19-7-10;;/h3,5,7-9,11,15H,2,4,6H2,1H3,(H,16,18);2*1H
InChIKeyNBSJPRFWDXLIDV-UHFFFAOYSA-N
MW364.30 g/mol
LogP3.12
Rot. Bonds3

About 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120602125) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120602125
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2csc(-c3ccoc3)n2)CCN1.Cl.Cl
InChIInChI=1S/C14H17N3O2S.2ClH/c1-9-6-11(2-4-15-9)16-13(18)12-8-20-14(17-12)10-3-5-19-7-10;;/h3,5,7-9,11,15H,2,4,6H2,1H3,(H,16,18);2*1H
InChIKeyNBSJPRFWDXLIDV-UHFFFAOYSA-N
XLogP3.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120598681
N-(2-methylpiperidin-4-yl)-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120602389
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
5-(furan-2-yl)-N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 120601208
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-(2-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 120598684
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120602125) is 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is CC1CC(NC(=O)c2csc(-c3ccoc3)n2)CCN1.Cl.Cl.
What is the InChIKey of 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is NBSJPRFWDXLIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.2ClH/c1-9-6-11(2-4-15-9)16-13(18)12-8-20-14(17-12)10-3-5-19-7-10;;/h3,5,7-9,11,15H,2,4,6H2,1H3,(H,16,18);2*1H.
What are the key properties of 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 364.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120602125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).