2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole

C14H16ClNS — CID 116892310

IUPAC2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
SMILESCc1cc(C(C)(C)C)ccc1-c1nc(Cl)cs1
InChIInChI=1S/C14H16ClNS/c1-9-7-10(14(2,3)4)5-6-11(9)13-16-12(15)8-17-13/h5-8H,1-4H3
InChIKeyFJYWZAZODNMALO-UHFFFAOYSA-N
MW265.81 g/mol
LogP5.07
Rot. Bonds1

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

2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole (PubChem CID 116892310) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
PubChem CID116892310
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
SMILESCc1cc(C(C)(C)C)ccc1-c1nc(Cl)cs1
InChIInChI=1S/C14H16ClNS/c1-9-7-10(14(2,3)4)5-6-11(9)13-16-12(15)8-17-13/h5-8H,1-4H3
InChIKeyFJYWZAZODNMALO-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.81
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butyl-2-methylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892119
2-(4-tert-butyl-2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889953
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
4-chloro-2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole
CID 83158898
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 116892268
4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
CID 83158562
4-(4-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484831
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
5-(4-tert-butyl-2-methylphenyl)thiophen-2-amine
CID 82479198
4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
CID 91188517

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole (CID 116892310) is 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole is Cc1cc(C(C)(C)C)ccc1-c1nc(Cl)cs1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole?
The InChIKey is FJYWZAZODNMALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-7-10(14(2,3)4)5-6-11(9)13-16-12(15)8-17-13/h5-8H,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole?
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole has a molecular weight of 265.81 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole is sourced from PubChem (CID 116892310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).