4-cyclopropyl-1,3-thiazole-2-carbonitrile

C7H6N2S — CID 71748573

IUPAC4-cyclopropyl-1,3-thiazole-2-carbonitrile
SMILESN#Cc1nc(C2CC2)cs1
InChIInChI=1S/C7H6N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-2H2
InChIKeyJIZTVERHEHJVJN-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.89
Rot. Bonds1

About 4-cyclopropyl-1,3-thiazole-2-carbonitrile

4-cyclopropyl-1,3-thiazole-2-carbonitrile (PubChem CID 71748573) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-1,3-thiazole-2-carbonitrile
PubChem CID71748573
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-cyclopropyl-1,3-thiazole-2-carbonitrile
SMILESN#Cc1nc(C2CC2)cs1
InChIInChI=1S/C7H6N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-2H2
InChIKeyJIZTVERHEHJVJN-UHFFFAOYSA-N
XLogP1.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-cyclopropyl-1,3-thiazole-2-carbonitrile (CID 71748573) is 4-cyclopropyl-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-cyclopropyl-1,3-thiazole-2-carbonitrile is N#Cc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-1,3-thiazole-2-carbonitrile?
The InChIKey is JIZTVERHEHJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-2H2.
What are the key properties of 4-cyclopropyl-1,3-thiazole-2-carbonitrile?
4-cyclopropyl-1,3-thiazole-2-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 71748573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).