N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C12H18N4OS — CID 18158171

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1n[nH]c(C)n1)C1=CCCC1
InChIInChI=1S/C12H18N4OS/c1-3-16(10-6-4-5-7-10)11(17)8-18-12-13-9(2)14-15-12/h6H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyMVHSDSRQFQDVSG-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.12
Rot. Bonds5

About N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 18158171) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID18158171
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1n[nH]c(C)n1)C1=CCCC1
InChIInChI=1S/C12H18N4OS/c1-3-16(10-6-4-5-7-10)11(17)8-18-12-13-9(2)14-15-12/h6H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyMVHSDSRQFQDVSG-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 18158171) is N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(C(=O)CSc1n[nH]c(C)n1)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MVHSDSRQFQDVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-16(10-6-4-5-7-10)11(17)8-18-12-13-9(2)14-15-12/h6H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 266.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).