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

C11H14N4OS — CID 122275766

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4OS/c1-2-3-11(16)12-6-9-7-15(14-13-9)10-4-5-17-8-10/h4-5,7-8H,2-3,6H2,1H3,(H,12,16)
InChIKeyPQUKLJAJORBHAT-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.75
Rot. Bonds5

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

N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide (PubChem CID 122275766) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
PubChem CID122275766
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4OS/c1-2-3-11(16)12-6-9-7-15(14-13-9)10-4-5-17-8-10/h4-5,7-8H,2-3,6H2,1H3,(H,12,16)
InChIKeyPQUKLJAJORBHAT-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
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]butanamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide (CID 122275766) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide is CCCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide?
The InChIKey is PQUKLJAJORBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-3-11(16)12-6-9-7-15(14-13-9)10-4-5-17-8-10/h4-5,7-8H,2-3,6H2,1H3,(H,12,16).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide has a molecular weight of 250.33 g/mol, XLogP of 1.75, 5 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]butanamide is sourced from PubChem (CID 122275766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).