4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole

C15H19NS — CID 5020924

IUPAC4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H19NS/c1-5-6-14-15(16-12(4)17-14)13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3
InChIKeyNWASCGUNDOUHHU-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.69
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole

4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole (PubChem CID 5020924) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
PubChem CID5020924
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C15H19NS/c1-5-6-14-15(16-12(4)17-14)13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3
InChIKeyNWASCGUNDOUHHU-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82128691
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 82540472
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
CID 93189973
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209833

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole (CID 5020924) is 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole is CCCc1sc(C)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole?
The InChIKey is NWASCGUNDOUHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-5-6-14-15(16-12(4)17-14)13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole?
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole is sourced from PubChem (CID 5020924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).