methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate

C14H14ClNO3S — CID 61037210

IUPACmethyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2cccc(C(C)C)c2)nc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-8(2)9-5-4-6-10(7-9)19-14-16-12(15)11(20-14)13(17)18-3/h4-8H,1-3H3
InChIKeyCKOBMPWPWHCDTI-UHFFFAOYSA-N
MW311.79 g/mol
LogP4.50
Rot. Bonds4

About methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate (PubChem CID 61037210) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
PubChem CID61037210
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Namemethyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2cccc(C(C)C)c2)nc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-8(2)9-5-4-6-10(7-9)19-14-16-12(15)11(20-14)13(17)18-3/h4-8H,1-3H3
InChIKeyCKOBMPWPWHCDTI-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 83133098
methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61228562
methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
CID 60824795
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
methyl 2-(3-bromo-5-nitrophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 103588596
methyl 4-chloro-2-(2-methyl-3-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057400
ethyl 5-(3-propan-2-ylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80613132

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate (CID 61037210) is methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Oc2cccc(C(C)C)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is CKOBMPWPWHCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-8(2)9-5-4-6-10(7-9)19-14-16-12(15)11(20-14)13(17)18-3/h4-8H,1-3H3.
What are the key properties of methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 311.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 61037210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).