2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole

C13H17NS — CID 165346704

IUPAC2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C13H17NS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3
InChIKeyNKZHQCCQHFVEFV-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.48
Rot. Bonds1

About 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole

2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 165346704) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole
PubChem CID165346704
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C13H17NS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3
InChIKeyNKZHQCCQHFVEFV-UHFFFAOYSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
CID 158823492
2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole
CID 146331676
2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 154341199
CID 142053160
CID 142053160
1-tert-butyl-4-methylbenzene
CID 163486601
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 126652820
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
2,3-bis(4-tert-butylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 150929561
4-(4-tert-butylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
CID 82362733

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole (CID 165346704) is 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole is CC(C)(C)c1ccc(C2=NCCS2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is NKZHQCCQHFVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole?
2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 219.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 165346704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).