2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide

C10H15N3OS — CID 43038477

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nccn1C1CC1
InChIInChI=1S/C10H15N3OS/c1-2-11-9(14)7-15-10-12-5-6-13(10)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,11,14)
InChIKeyWNBZPFLQSLSQAW-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.45
Rot. Bonds5

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide (PubChem CID 43038477) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
PubChem CID43038477
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1nccn1C1CC1
InChIInChI=1S/C10H15N3OS/c1-2-11-9(14)7-15-10-12-5-6-13(10)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,11,14)
InChIKeyWNBZPFLQSLSQAW-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide (CID 43038477) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1nccn1C1CC1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide?
The InChIKey is WNBZPFLQSLSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-11-9(14)7-15-10-12-5-6-13(10)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,11,14).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide has a molecular weight of 225.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 43038477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).