2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C13H15N3O2S — CID 119514774

IUPAC2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCN1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H15N3O2S/c17-12(15-6-10-2-1-4-14-10)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)
InChIKeyJRSOSZXMCPCAIF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.88
Rot. Bonds4

About 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119514774) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID119514774
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCN1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C13H15N3O2S/c17-12(15-6-10-2-1-4-14-10)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)
InChIKeyJRSOSZXMCPCAIF-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.88
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-(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-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998447

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 119514774) is 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCCN1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JRSOSZXMCPCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-12(15-6-10-2-1-4-14-10)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).
What are the key properties of 2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.88, 4 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-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119514774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).