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

C11H14N4OS — CID 122275827

IUPAC2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4OS/c1-8(2)11(16)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,5H2,1-2H3,(H,12,16)
InChIKeyLEUSUALNEQFPSR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.60
Rot. Bonds4

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

2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 122275827) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
PubChem CID122275827
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4OS/c1-8(2)11(16)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,5H2,1-2H3,(H,12,16)
InChIKeyLEUSUALNEQFPSR-UHFFFAOYSA-N
XLogP1.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide (CID 122275827) is 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is CC(C)C(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is LEUSUALNEQFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8(2)11(16)12-5-9-6-15(14-13-9)10-3-4-17-7-10/h3-4,6-8H,5H2,1-2H3,(H,12,16).
What are the key properties of 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide?
2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 250.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122275827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).