N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide

C12H14N4O2S — CID 122275874

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCOC1
InChIInChI=1S/C12H14N4O2S/c17-12(9-1-3-18-7-9)13-5-10-6-16(15-14-10)11-2-4-19-8-11/h2,4,6,8-9H,1,3,5,7H2,(H,13,17)
InChIKeyUPLRXHQQXUCHET-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.98
Rot. Bonds4

About N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide

N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 122275874) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID122275874
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCOC1
InChIInChI=1S/C12H14N4O2S/c17-12(9-1-3-18-7-9)13-5-10-6-16(15-14-10)11-2-4-19-8-11/h2,4,6,8-9H,1,3,5,7H2,(H,13,17)
InChIKeyUPLRXHQQXUCHET-UHFFFAOYSA-N
XLogP0.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide (CID 122275874) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide is O=C(NCc1cn(-c2ccsc2)nn1)C1CCOC1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is UPLRXHQQXUCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-12(9-1-3-18-7-9)13-5-10-6-16(15-14-10)11-2-4-19-8-11/h2,4,6,8-9H,1,3,5,7H2,(H,13,17).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 122275874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).