methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate

C8H10ClNO3S — CID 60824790

IUPACmethyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(OC(C)C)nc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-4(2)13-8-10-6(9)5(14-8)7(11)12-3/h4H,1-3H3
InChIKeyPYBJQIXSZAXEER-UHFFFAOYSA-N
MW235.69 g/mol
LogP2.37
Rot. Bonds3

About methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate (PubChem CID 60824790) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate
PubChem CID60824790
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Namemethyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(OC(C)C)nc1Cl
InChIInChI=1S/C8H10ClNO3S/c1-4(2)13-8-10-6(9)5(14-8)7(11)12-3/h4H,1-3H3
InChIKeyPYBJQIXSZAXEER-UHFFFAOYSA-N
XLogP2.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate (CID 60824790) is methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate is COC(=O)c1sc(OC(C)C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The InChIKey is PYBJQIXSZAXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-4(2)13-8-10-6(9)5(14-8)7(11)12-3/h4H,1-3H3.
What are the key properties of methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate has a molecular weight of 235.69 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60824790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).