4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole

C13H14ClNOS — CID 83153578

IUPAC4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)ccc1C(C)C
InChIInChI=1S/C13H14ClNOS/c1-8(2)11-5-4-10(6-9(11)3)16-13-15-12(14)7-17-13/h4-8H,1-3H3
InChIKeyXVSPNHJCOWAOSF-UHFFFAOYSA-N
MW267.78 g/mol
LogP5.02
Rot. Bonds3

About 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole

4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole (PubChem CID 83153578) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
PubChem CID83153578
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
SMILESCc1cc(Oc2nc(Cl)cs2)ccc1C(C)C
InChIInChI=1S/C13H14ClNOS/c1-8(2)11-5-4-10(6-9(11)3)16-13-15-12(14)7-17-13/h4-8H,1-3H3
InChIKeyXVSPNHJCOWAOSF-UHFFFAOYSA-N
XLogP5.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.78
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-chloro-3,5-dimethylphenoxy)-1,3-thiazole
CID 83153099
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole (CID 83153578) is 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole is Cc1cc(Oc2nc(Cl)cs2)ccc1C(C)C.
What is the InChIKey of 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole?
The InChIKey is XVSPNHJCOWAOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8(2)11-5-4-10(6-9(11)3)16-13-15-12(14)7-17-13/h4-8H,1-3H3.
What are the key properties of 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole?
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole is sourced from PubChem (CID 83153578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).