2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile

C9H10N2S — CID 65420011

IUPAC2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCC1CC1c1nc(CC#N)cs1
InChIInChI=1S/C9H10N2S/c1-6-4-8(6)9-11-7(2-3-10)5-12-9/h5-6,8H,2,4H2,1H3
InChIKeyIAVFDGHILNFPLB-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.33
Rot. Bonds2

About 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 65420011) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID65420011
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCC1CC1c1nc(CC#N)cs1
InChIInChI=1S/C9H10N2S/c1-6-4-8(6)9-11-7(2-3-10)5-12-9/h5-6,8H,2,4H2,1H3
InChIKeyIAVFDGHILNFPLB-UHFFFAOYSA-N
XLogP2.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile (CID 65420011) is 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile is CC1CC1c1nc(CC#N)cs1.
What is the InChIKey of 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is IAVFDGHILNFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-4-8(6)9-11-7(2-3-10)5-12-9/h5-6,8H,2,4H2,1H3.
What are the key properties of 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 65420011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).