2-(2-propyl-1,3-thiazol-4-yl)acetonitrile

C8H10N2S — CID 62929491

IUPAC2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
SMILESCCCc1nc(CC#N)cs1
InChIInChI=1S/C8H10N2S/c1-2-3-8-10-7(4-5-9)6-11-8/h6H,2-4H2,1H3
InChIKeyADZNUVZIJYXYPQ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile

2-(2-propyl-1,3-thiazol-4-yl)acetonitrile (PubChem CID 62929491) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
PubChem CID62929491
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
SMILESCCCc1nc(CC#N)cs1
InChIInChI=1S/C8H10N2S/c1-2-3-8-10-7(4-5-9)6-11-8/h6H,2-4H2,1H3
InChIKeyADZNUVZIJYXYPQ-UHFFFAOYSA-N
XLogP2.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929651
2-[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 65138254
2-octyl-4-propyl-1,3-thiazole
CID 86124626
2-[2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 65137613
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
2-[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515282
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile (CID 62929491) is 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile is CCCc1nc(CC#N)cs1.
What is the InChIKey of 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile?
The InChIKey is ADZNUVZIJYXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-3-8-10-7(4-5-9)6-11-8/h6H,2-4H2,1H3.
What are the key properties of 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile?
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile has a molecular weight of 166.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,3-thiazol-4-yl)acetonitrile is sourced from PubChem (CID 62929491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).