3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole

C13H14ClNOS — CID 67807977

IUPAC3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(Cl)ns1
InChIInChI=1S/C13H14ClNOS/c1-8(2)9-4-5-10(11(6-9)16-3)12-7-13(14)15-17-12/h4-8H,1-3H3
InChIKeyJKTHFVDSIMBACI-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.60
Rot. Bonds3

About 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole

3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole (PubChem CID 67807977) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
PubChem CID67807977
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole
SMILESCOc1cc(C(C)C)ccc1-c1cc(Cl)ns1
InChIInChI=1S/C13H14ClNOS/c1-8(2)9-4-5-10(11(6-9)16-3)12-7-13(14)15-17-12/h4-8H,1-3H3
InChIKeyJKTHFVDSIMBACI-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazole
CID 116884410
1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
CID 90878179
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
4-methoxy-6-propan-2-ylazulene
CID 56627743
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
CID 116856768
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole?
The IUPAC name of 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole (CID 67807977) is 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole.
What is the SMILES notation for 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole?
The canonical SMILES for 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole is COc1cc(C(C)C)ccc1-c1cc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole?
The InChIKey is JKTHFVDSIMBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8(2)9-4-5-10(11(6-9)16-3)12-7-13(14)15-17-12/h4-8H,1-3H3.
What are the key properties of 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole?
3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methoxy-4-propan-2-ylphenyl)-1,2-thiazole is sourced from PubChem (CID 67807977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).