ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole

C13H17NS — CID 143737006

IUPACethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCC.Cc1ccc(-c2cnc(C)s2)cc1
InChIInChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11;1-2/h3-7H,1-2H3;1-2H3
InChIKeyVMLQDPAICHEPOL-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.45
Rot. Bonds1

About ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole

ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole (PubChem CID 143737006) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
PubChem CID143737006
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Nameethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCC.Cc1ccc(-c2cnc(C)s2)cc1
InChIInChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11;1-2/h3-7H,1-2H3;1-2H3
InChIKeyVMLQDPAICHEPOL-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-5-(4-methylphenyl)-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

2-methyl-5-(4-methylsulfinylphenyl)-1,3-thiazole
CID 19995246
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
methyl 2-fluoro-5-(2-methyl-1,3-thiazol-5-yl)benzoate
CID 171772821
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 143851892
2-ethanehydrazonoyl-5-(2-methyl-1,3-thiazol-5-yl)phenol;iodomethane
CID 167503432
methyl 2-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 86683500

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole (CID 143737006) is ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole is CC.Cc1ccc(-c2cnc(C)s2)cc1.
What is the InChIKey of ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole?
The InChIKey is VMLQDPAICHEPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole?
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole has a molecular weight of 219.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 143737006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).