4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride

C14H20ClNS — CID 173073213

IUPAC4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
SMILESCC1=C(C)N(c2c(C)cc(C)cc2C)CS1.Cl
InChIInChI=1S/C14H19NS.ClH/c1-9-6-10(2)14(11(3)7-9)15-8-16-13(5)12(15)4;/h6-7H,8H2,1-5H3;1H
InChIKeyHSBUNUZAADFWKJ-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.80
Rot. Bonds1

About 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride

4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride (PubChem CID 173073213) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
PubChem CID173073213
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
SMILESCC1=C(C)N(c2c(C)cc(C)cc2C)CS1.Cl
InChIInChI=1S/C14H19NS.ClH/c1-9-6-10(2)14(11(3)7-9)15-8-16-13(5)12(15)4;/h6-7H,8H2,1-5H3;1H
InChIKeyHSBUNUZAADFWKJ-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride?
The IUPAC name of 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride (CID 173073213) is 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride?
The canonical SMILES for 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride is CC1=C(C)N(c2c(C)cc(C)cc2C)CS1.Cl.
What is the InChIKey of 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride?
The InChIKey is HSBUNUZAADFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS.ClH/c1-9-6-10(2)14(11(3)7-9)15-8-16-13(5)12(15)4;/h6-7H,8H2,1-5H3;1H.
What are the key properties of 4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride?
4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride has a molecular weight of 269.84 g/mol, XLogP of 4.80, 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-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride is sourced from PubChem (CID 173073213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).