2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

C16H18N6O2S — CID 166242880

IUPAC2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cn(C2CCNCC2)nn1)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H18N6O2S/c23-15(13-10-25-16(19-13)14-2-1-7-24-14)18-8-11-9-22(21-20-11)12-3-5-17-6-4-12/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23)
InChIKeyOEASXPOJNSJTCU-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.85
Rot. Bonds5

About 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 166242880) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID166242880
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cn(C2CCNCC2)nn1)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H18N6O2S/c23-15(13-10-25-16(19-13)14-2-1-7-24-14)18-8-11-9-22(21-20-11)12-3-5-17-6-4-12/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23)
InChIKeyOEASXPOJNSJTCU-UHFFFAOYSA-N
XLogP1.85
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 119698099
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106381319

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 166242880) is 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cn(C2CCNCC2)nn1)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OEASXPOJNSJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c23-15(13-10-25-16(19-13)14-2-1-7-24-14)18-8-11-9-22(21-20-11)12-3-5-17-6-4-12/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23).
What are the key properties of 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166242880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).