4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride

C12H16ClNS — CID 173073236

IUPAC4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride
SMILESCC1=C(C)N(c2ccccc2C)CS1.Cl
InChIInChI=1S/C12H15NS.ClH/c1-9-6-4-5-7-12(9)13-8-14-11(3)10(13)2;/h4-7H,8H2,1-3H3;1H
InChIKeyDGJAEDJRFQODNM-UHFFFAOYSA-N
MW241.79 g/mol
LogP4.18
Rot. Bonds1

About 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride

4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride (PubChem CID 173073236) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride
PubChem CID173073236
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride
SMILESCC1=C(C)N(c2ccccc2C)CS1.Cl
InChIInChI=1S/C12H15NS.ClH/c1-9-6-4-5-7-12(9)13-8-14-11(3)10(13)2;/h4-7H,8H2,1-3H3;1H
InChIKeyDGJAEDJRFQODNM-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-2H-1,3-thiazole
CID 71294892
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
2-methyl-1-(2-methylphenyl)-4,5-dihydroimidazole
CID 67968169
azane;3-(2-methylphenyl)-2H-1,3-thiazole-4-carboxamide
CID 174787202
3-(2,6-dibromo-4-methylphenyl)-4,5-dimethyl-2H-1,3-thiazole
CID 71295030
1-(2-methylphenyl)diazetidine;hydrate
CID 142118290
1,2-xylene;trihydrochloride
CID 70594732
3-(2-methylphenyl)-3,6-diazabicyclo[3.1.1]heptan-2-one
CID 84776854
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
3-acetyl-1-(2-methylphenyl)pyrrolidine-2,4-dione
CID 67764530
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride?
The IUPAC name of 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride (CID 173073236) is 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride?
The canonical SMILES for 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride is CC1=C(C)N(c2ccccc2C)CS1.Cl.
What is the InChIKey of 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride?
The InChIKey is DGJAEDJRFQODNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS.ClH/c1-9-6-4-5-7-12(9)13-8-14-11(3)10(13)2;/h4-7H,8H2,1-3H3;1H.
What are the key properties of 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride?
4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride has a molecular weight of 241.79 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2-methylphenyl)-2H-1,3-thiazole;hydrochloride is sourced from PubChem (CID 173073236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).