4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole

C14H17NS — CID 59872552

IUPAC4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
SMILESCc1nc(C(C)(C)c2ccccc2)sc1C
InChIInChI=1S/C14H17NS/c1-10-11(2)16-13(15-10)14(3,4)12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKeyRRDMQBREGANORB-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.09
Rot. Bonds2

About 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole

4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole (PubChem CID 59872552) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
PubChem CID59872552
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
SMILESCc1nc(C(C)(C)c2ccccc2)sc1C
InChIInChI=1S/C14H17NS/c1-10-11(2)16-13(15-10)14(3,4)12-8-6-5-7-9-12/h5-9H,1-4H3
InChIKeyRRDMQBREGANORB-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
2-phenylpropan-2-ylbenzene
CID 13065
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61331926
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
CID 171375456
CID 171375456
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832553
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
2-(2-phenylpropan-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55182286
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 166195024

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole (CID 59872552) is 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole is Cc1nc(C(C)(C)c2ccccc2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole?
The InChIKey is RRDMQBREGANORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-11(2)16-13(15-10)14(3,4)12-8-6-5-7-9-12/h5-9H,1-4H3.
What are the key properties of 4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole?
4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole has a molecular weight of 231.36 g/mol, XLogP of 4.09, 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-phenylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 59872552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).