N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide

C12H14N4O2S — CID 122245954

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCCO1
InChIInChI=1S/C12H14N4O2S/c17-12(11-2-1-4-18-11)13-6-9-7-16(15-14-9)10-3-5-19-8-10/h3,5,7-8,11H,1-2,4,6H2,(H,13,17)
InChIKeySIPSQCJQXITOAE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.12
Rot. Bonds4

About N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide

N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 122245954) 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-2-carboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide
PubChem CID122245954
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCCO1
InChIInChI=1S/C12H14N4O2S/c17-12(11-2-1-4-18-11)13-6-9-7-16(15-14-9)10-3-5-19-8-10/h3,5,7-8,11H,1-2,4,6H2,(H,13,17)
InChIKeySIPSQCJQXITOAE-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-2-carboxamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide (CID 122245954) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide is O=C(NCc1cn(-c2ccsc2)nn1)C1CCCO1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SIPSQCJQXITOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-12(11-2-1-4-18-11)13-6-9-7-16(15-14-9)10-3-5-19-8-10/h3,5,7-8,11H,1-2,4,6H2,(H,13,17).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.12, 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-2-carboxamide is sourced from PubChem (CID 122245954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).