2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

C12H19N3OS — CID 43038478

IUPAC2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1nccn1C1CC1
InChIInChI=1S/C12H19N3OS/c1-9(2)7-14-11(16)8-17-12-13-5-6-15(12)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyHBEBZFIBRJLDHH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.08
Rot. Bonds6

About 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 43038478) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID43038478
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1nccn1C1CC1
InChIInChI=1S/C12H19N3OS/c1-9(2)7-14-11(16)8-17-12-13-5-6-15(12)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyHBEBZFIBRJLDHH-UHFFFAOYSA-N
XLogP2.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.08
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-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (CID 43038478) is 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSc1nccn1C1CC1.
What is the InChIKey of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is HBEBZFIBRJLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)7-14-11(16)8-17-12-13-5-6-15(12)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.08, 6 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 43038478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).