4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

C15H19NS — CID 116887657

IUPAC4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1nc(C)c(C)s1
InChIInChI=1S/C15H19NS/c1-9(2)13-7-6-10(3)14(8-13)15-16-11(4)12(5)17-15/h6-9H,1-5H3
InChIKeyKNVNFVPMSKWPST-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.86
Rot. Bonds2

About 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole

4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 116887657) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
PubChem CID116887657
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1ccc(C(C)C)cc1-c1nc(C)c(C)s1
InChIInChI=1S/C15H19NS/c1-9(2)13-7-6-10(3)14(8-13)15-16-11(4)12(5)17-15/h6-9H,1-5H3
InChIKeyKNVNFVPMSKWPST-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116892221
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole (CID 116887657) is 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is Cc1ccc(C(C)C)cc1-c1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is KNVNFVPMSKWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-9(2)13-7-6-10(3)14(8-13)15-16-11(4)12(5)17-15/h6-9H,1-5H3.
What are the key properties of 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole?
4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 116887657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).