4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole

C16H21NS — CID 170887766

IUPAC4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H21NS/c1-5-6-12-7-9-13(10-8-12)15-17-14(11-18-15)16(2,3)4/h7-11H,5-6H2,1-4H3
InChIKeyLZXMHFSQCMYSHE-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.06
Rot. Bonds3

About 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole

4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole (PubChem CID 170887766) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
PubChem CID170887766
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
SMILESCCCc1ccc(-c2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C16H21NS/c1-5-6-12-7-9-13(10-8-12)15-17-14(11-18-15)16(2,3)4/h7-11H,5-6H2,1-4H3
InChIKeyLZXMHFSQCMYSHE-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
4-chloro-2-(4-propylphenyl)-1,3-thiazole
CID 83158999
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169386846
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
3-[2-(4-propylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890055
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 70810015
(E)-3-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]prop-2-enoic acid
CID 170872178
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
4-propyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 112796910
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole (CID 170887766) is 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole is CCCc1ccc(-c2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole?
The InChIKey is LZXMHFSQCMYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-5-6-12-7-9-13(10-8-12)15-17-14(11-18-15)16(2,3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole?
4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole has a molecular weight of 259.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole is sourced from PubChem (CID 170887766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).