N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide

C12H14N4O2S — CID 154862449

IUPACN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)C1CCSC1
InChIInChI=1S/C12H14N4O2S/c17-12(8-3-5-19-7-8)13-6-10-14-11(16-15-10)9-2-1-4-18-9/h1-2,4,8H,3,5-7H2,(H,13,17)(H,14,15,16)
InChIKeyZQNZPOZULGANDY-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.43
Rot. Bonds4

About N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide (PubChem CID 154862449) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
PubChem CID154862449
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide
SMILESO=C(NCc1nc(-c2ccco2)n[nH]1)C1CCSC1
InChIInChI=1S/C12H14N4O2S/c17-12(8-3-5-19-7-8)13-6-10-14-11(16-15-10)9-2-1-4-18-9/h1-2,4,8H,3,5-7H2,(H,13,17)(H,14,15,16)
InChIKeyZQNZPOZULGANDY-UHFFFAOYSA-N
XLogP1.43
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxamide
CID 154868547
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97224561
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 95950890
(2S)-N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96562381
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71844898
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111837086
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
CID 75364800
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 71878786
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-methyl-4-nitrobenzamide
CID 56827433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide?
The IUPAC name of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide (CID 154862449) is N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide?
The canonical SMILES for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide is O=C(NCc1nc(-c2ccco2)n[nH]1)C1CCSC1.
What is the InChIKey of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide?
The InChIKey is ZQNZPOZULGANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-12(8-3-5-19-7-8)13-6-10-14-11(16-15-10)9-2-1-4-18-9/h1-2,4,8H,3,5-7H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide?
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]thiolane-3-carboxamide is sourced from PubChem (CID 154862449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).