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

C12H14N4OS — CID 122275652

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCC1
InChIInChI=1S/C12H14N4OS/c17-12(9-2-1-3-9)13-6-10-7-16(15-14-10)11-4-5-18-8-11/h4-5,7-9H,1-3,6H2,(H,13,17)
InChIKeyFRNFHMWAFDBLKY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.75
Rot. Bonds4

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

N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 122275652) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID122275652
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)C1CCC1
InChIInChI=1S/C12H14N4OS/c17-12(9-2-1-3-9)13-6-10-7-16(15-14-10)11-4-5-18-8-11/h4-5,7-9H,1-3,6H2,(H,13,17)
InChIKeyFRNFHMWAFDBLKY-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide (CID 122275652) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide is O=C(NCc1cn(-c2ccsc2)nn1)C1CCC1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is FRNFHMWAFDBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(9-2-1-3-9)13-6-10-7-16(15-14-10)11-4-5-18-8-11/h4-5,7-9H,1-3,6H2,(H,13,17).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-yltriazol-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 122275652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).