2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole

C12H21NS2 — CID 141400937

IUPAC2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole
SMILESCCCCC(CC)CSc1nc(C)cs1
InChIInChI=1S/C12H21NS2/c1-4-6-7-11(5-2)9-15-12-13-10(3)8-14-12/h8,11H,4-7,9H2,1-3H3
InChIKeyXDYKYGDEDLUKMC-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.76
Rot. Bonds7

About 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole

2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 141400937) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID141400937
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC Name2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole
SMILESCCCCC(CC)CSc1nc(C)cs1
InChIInChI=1S/C12H21NS2/c1-4-6-7-11(5-2)9-15-12-13-10(3)8-14-12/h8,11H,4-7,9H2,1-3H3
InChIKeyXDYKYGDEDLUKMC-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole 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

4-Methyl-2-(methylsulfanyl)-1,3-thiazole
CID 22156633
2-Ethylsulfanyl-4-methyl-1,3-thiazole
CID 350823
5-Butylnonan-5-yl-[4-(difluoromethyl)-1,3-thiazol-2-yl]tin
CID 178077119
4-Methyl-2-(pentadecylsulfanyl)-1,3-thiazole
CID 13217982
2-Butylsulfanyl-4-methyl-1,3-thiazole
CID 12214737
4-Methyl-2-(propylthio)thiazole
CID 20719812
4-(2,2-Dimethylpropylsulfanylmethyl)-2-methyl-1,3-thiazole
CID 21060287
2-Methylsulfanyl-4-propan-2-yl-1,3-thiazole
CID 22949815
4-Methyl-2-(4-methylpentyl)-1,3-thiazole
CID 23568645
2-Cyclopentyl-4-methyl-1,3-thiazole
CID 57959963
4-Methyl-2-(thian-4-yl)-1,3-thiazole
CID 57960608
4-Methyl-2-pentan-3-yl-1,3-thiazole
CID 57960708

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole (CID 141400937) is 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole is CCCCC(CC)CSc1nc(C)cs1.
What is the InChIKey of 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is XDYKYGDEDLUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-4-6-7-11(5-2)9-15-12-13-10(3)8-14-12/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole?
2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 243.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 141400937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).