3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile

C9H10N2S — CID 82409870

IUPAC3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile
SMILESCCc1snc(C2CC2)c1C#N
InChIInChI=1S/C9H10N2S/c1-2-8-7(5-10)9(11-12-8)6-3-4-6/h6H,2-4H2,1H3
InChIKeyUERROBGMFSNNIR-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.45
Rot. Bonds2

About 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile

3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile (PubChem CID 82409870) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile
PubChem CID82409870
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile
SMILESCCc1snc(C2CC2)c1C#N
InChIInChI=1S/C9H10N2S/c1-2-8-7(5-10)9(11-12-8)6-3-4-6/h6H,2-4H2,1H3
InChIKeyUERROBGMFSNNIR-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-cyclohexyl-1,2-thiazole-4-carbonitrile
CID 91620610
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383180
N'-[4-[(4-cyano-3-cyclohexyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691011
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
CID 163870027
5-cyclopropyl-2H-triazole-4-carbonitrile
CID 82377924
ethyl 4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-1-methylpyrazole-5-carboxylate
CID 69174067
4-amino-6-cyclopropyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100776168
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
4-chloro-2-cyclopropylpyridine-3-carbonitrile
CID 151414455
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
3-chloro-5-(cyclopropylmethylamino)-1,2-thiazole-4-carbonitrile
CID 131159941

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile (CID 82409870) is 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile is CCc1snc(C2CC2)c1C#N.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile?
The InChIKey is UERROBGMFSNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-8-7(5-10)9(11-12-8)6-3-4-6/h6H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile?
3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 82409870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).