4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole

C15H19NS — CID 116887615

IUPAC4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CC(C)C)cc2)sc1C
InChIInChI=1S/C15H19NS/c1-10(2)9-13-5-7-14(8-6-13)15-16-11(3)12(4)17-15/h5-8,10H,9H2,1-4H3
InChIKeyYSSQFRHPHYBAPR-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.63
Rot. Bonds3

About 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole

4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole (PubChem CID 116887615) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
PubChem CID116887615
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CC(C)C)cc2)sc1C
InChIInChI=1S/C15H19NS/c1-10(2)9-13-5-7-14(8-6-13)15-16-11(3)12(4)17-15/h5-8,10H,9H2,1-4H3
InChIKeyYSSQFRHPHYBAPR-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]sulfanylpropanoic acid
CID 142239085
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
4-(4,5-dimethyl-1,3-thiazol-2-yl)benzoyl chloride
CID 21313618
2-(4-ethyl-3-pyridinyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 154070969
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
3-tert-butyl-2-methyl-6-[4-(2-methylpropyl)phenyl]pyridine
CID 140943602
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988755

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole (CID 116887615) is 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(CC(C)C)cc2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
The InChIKey is YSSQFRHPHYBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10(2)9-13-5-7-14(8-6-13)15-16-11(3)12(4)17-15/h5-8,10H,9H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole?
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 116887615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).