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

C12H16N4OS — CID 122275654

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C12H16N4OS/c1-2-3-4-12(17)13-7-10-8-16(15-14-10)11-5-6-18-9-11/h5-6,8-9H,2-4,7H2,1H3,(H,13,17)
InChIKeyRCMBCVZLGFBCPA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.14
Rot. Bonds6

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

N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide (PubChem CID 122275654) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide
PubChem CID122275654
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C12H16N4OS/c1-2-3-4-12(17)13-7-10-8-16(15-14-10)11-5-6-18-9-11/h5-6,8-9H,2-4,7H2,1H3,(H,13,17)
InChIKeyRCMBCVZLGFBCPA-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.14
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]pentanamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide (CID 122275654) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide is CCCCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide?
The InChIKey is RCMBCVZLGFBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-3-4-12(17)13-7-10-8-16(15-14-10)11-5-6-18-9-11/h5-6,8-9H,2-4,7H2,1H3,(H,13,17).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]pentanamide has a molecular weight of 264.35 g/mol, XLogP of 2.14, 6 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]pentanamide is sourced from PubChem (CID 122275654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).