4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile

C11H16N2S — CID 82429659

IUPAC4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(C(CC)CC)sc1C#N
InChIInChI=1S/C11H16N2S/c1-4-8(5-2)11-13-9(6-3)10(7-12)14-11/h8H,4-6H2,1-3H3
InChIKeyGTFNAWOUOGVBNY-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.48
Rot. Bonds4

About 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile

4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82429659) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
PubChem CID82429659
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(C(CC)CC)sc1C#N
InChIInChI=1S/C11H16N2S/c1-4-8(5-2)11-13-9(6-3)10(7-12)14-11/h8H,4-6H2,1-3H3
InChIKeyGTFNAWOUOGVBNY-UHFFFAOYSA-N
XLogP3.48
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)ethanone
CID 82429689
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320
2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
N-[(4-ethyl-2-pentan-3-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429665
2-ethyl-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82433582
2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430140
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82432448
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82429146
2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile (CID 82429659) is 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile is CCc1nc(C(CC)CC)sc1C#N.
What is the InChIKey of 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is GTFNAWOUOGVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-8(5-2)11-13-9(6-3)10(7-12)14-11/h8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile?
4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 208.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentan-3-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82429659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).