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

C14H18N4OS2 — CID 122275808

IUPAC2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H18N4OS2/c19-14(10-21-13-3-1-2-4-13)15-7-11-8-18(17-16-11)12-5-6-20-9-12/h5-6,8-9,13H,1-4,7,10H2,(H,15,19)
InChIKeyTYVDWEYRGIYSTC-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.62
Rot. Bonds6

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

2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275808) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275808
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H18N4OS2/c19-14(10-21-13-3-1-2-4-13)15-7-11-8-18(17-16-11)12-5-6-20-9-12/h5-6,8-9,13H,1-4,7,10H2,(H,15,19)
InChIKeyTYVDWEYRGIYSTC-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275808) is 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is O=C(CSC1CCCC1)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is TYVDWEYRGIYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c19-14(10-21-13-3-1-2-4-13)15-7-11-8-18(17-16-11)12-5-6-20-9-12/h5-6,8-9,13H,1-4,7,10H2,(H,15,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).