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

C14H19Cl2N3O2S — CID 119538180

IUPAC2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H17N3O2S.2ClH/c18-13(16-5-2-10-1-4-15-7-10)12-9-20-14(17-12)11-3-6-19-8-11;;/h3,6,8-10,15H,1-2,4-5,7H2,(H,16,18);2*1H
InChIKeyRIXLNILOONXNDH-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.98
Rot. Bonds5

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

2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119538180) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119538180
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H17N3O2S.2ClH/c18-13(16-5-2-10-1-4-15-7-10)12-9-20-14(17-12)11-3-6-19-8-11;;/h3,6,8-10,15H,1-2,4-5,7H2,(H,16,18);2*1H
InChIKeyRIXLNILOONXNDH-UHFFFAOYSA-N
XLogP2.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.98
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-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-(furan-3-yl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120602125
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119538180) is 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is RIXLNILOONXNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.2ClH/c18-13(16-5-2-10-1-4-15-7-10)12-9-20-14(17-12)11-3-6-19-8-11;;/h3,6,8-10,15H,1-2,4-5,7H2,(H,16,18);2*1H.
What are the key properties of 2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 364.30 g/mol, XLogP of 2.98, 5 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-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119538180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).