2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole

C15H19NS — CID 113415629

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(C)cc(Cc2nc(C(C)C)cs2)c1
InChIInChI=1S/C15H19NS/c1-10(2)14-9-17-15(16-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyMWSBXKBDBGUIHW-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.47
Rot. Bonds3

About 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole

2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 113415629) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
PubChem CID113415629
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(C)cc(Cc2nc(C(C)C)cs2)c1
InChIInChI=1S/C15H19NS/c1-10(2)14-9-17-15(16-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3
InChIKeyMWSBXKBDBGUIHW-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
CID 173348317
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-propan-2-ylpyrimidine
CID 55095955
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole (CID 113415629) is 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole is Cc1cc(C)cc(Cc2nc(C(C)C)cs2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is MWSBXKBDBGUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10(2)14-9-17-15(16-14)8-13-6-11(3)5-12(4)7-13/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole?
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 245.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 113415629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).