2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride

C13H17Cl2N3O2S — CID 126776233

IUPAC2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1CCCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H15N3O2S.2ClH/c17-12(15-10-2-1-4-14-6-10)11-8-19-13(16-11)9-3-5-18-7-9;;/h3,5,7-8,10,14H,1-2,4,6H2,(H,15,17);2*1H/t10-;;/m0../s1
InChIKeySCQUEZLCZJSXSD-XRIOVQLTSA-N
MW350.27 g/mol
LogP2.73
Rot. Bonds3

About 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 126776233) has the molecular formula C13H17Cl2N3O2S and a molecular weight of 350.27 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID126776233
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.27 g/mol
Exact Mass349.04
IUPAC Name2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@H]1CCCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H15N3O2S.2ClH/c17-12(15-10-2-1-4-14-6-10)11-8-19-13(16-11)9-3-5-18-7-9;;/h3,5,7-8,10,14H,1-2,4,6H2,(H,15,17);2*1H/t10-;;/m0../s1
InChIKeySCQUEZLCZJSXSD-XRIOVQLTSA-N
XLogP2.73
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120602125
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998447
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119452998

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 126776233) is 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@H]1CCCNC1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is SCQUEZLCZJSXSD-XRIOVQLTSA-N. The full InChI is InChI=1S/C13H15N3O2S.2ClH/c17-12(15-10-2-1-4-14-6-10)11-8-19-13(16-11)9-3-5-18-7-9;;/h3,5,7-8,10,14H,1-2,4,6H2,(H,15,17);2*1H/t10-;;/m0../s1.
What are the key properties of 2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 350.27 g/mol, XLogP of 2.73, 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-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 126776233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).