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

C14H17N3O2S — CID 119464645

IUPAC2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H17N3O2S/c18-13(16-7-10-2-1-4-15-6-10)12-9-20-14(17-12)11-3-5-19-8-11/h3,5,8-10,15H,1-2,4,6-7H2,(H,16,18)
InChIKeyQBVBRRPWWQTUPA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.13
Rot. Bonds4

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

2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119464645) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID119464645
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C14H17N3O2S/c18-13(16-7-10-2-1-4-15-6-10)12-9-20-14(17-12)11-3-5-19-8-11/h3,5,8-10,15H,1-2,4,6-7H2,(H,16,18)
InChIKeyQBVBRRPWWQTUPA-UHFFFAOYSA-N
XLogP2.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11290447
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 119464645) is 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCCNC1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QBVBRRPWWQTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(16-7-10-2-1-4-15-6-10)12-9-20-14(17-12)11-3-5-19-8-11/h3,5,8-10,15H,1-2,4,6-7H2,(H,16,18).
What are the key properties of 2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.13, 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-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119464645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).