2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile

C15H14N2S — CID 82436090

IUPAC2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
SMILESN#CCc1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H14N2S/c16-9-8-13-15(12-6-7-12)17-14(18-13)10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2
InChIKeySJYWOBPGWGNKMK-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 82436090) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID82436090
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
SMILESN#CCc1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H14N2S/c16-9-8-13-15(12-6-7-12)17-14(18-13)10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2
InChIKeySJYWOBPGWGNKMK-UHFFFAOYSA-N
XLogP3.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile (CID 82436090) is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile is N#CCc1sc(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is SJYWOBPGWGNKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c16-9-8-13-15(12-6-7-12)17-14(18-13)10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2.
What are the key properties of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile?
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 254.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82436090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).