2-chloro-4-methoxy-5-methyl-1,3-thiazole

C5H6ClNOS — CID 142407253

IUPAC2-chloro-4-methoxy-5-methyl-1,3-thiazole
SMILESCOc1nc(Cl)sc1C
InChIInChI=1S/C5H6ClNOS/c1-3-4(8-2)7-5(6)9-3/h1-2H3
InChIKeyPQJNOCQCADOUMM-UHFFFAOYSA-N
MW163.63 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-4-methoxy-5-methyl-1,3-thiazole

2-chloro-4-methoxy-5-methyl-1,3-thiazole (PubChem CID 142407253) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-methyl-1,3-thiazole
PubChem CID142407253
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name2-chloro-4-methoxy-5-methyl-1,3-thiazole
SMILESCOc1nc(Cl)sc1C
InChIInChI=1S/C5H6ClNOS/c1-3-4(8-2)7-5(6)9-3/h1-2H3
InChIKeyPQJNOCQCADOUMM-UHFFFAOYSA-N
XLogP2.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-methoxy-5-methyl-1,3-thiazole (CID 142407253) is 2-chloro-4-methoxy-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methoxy-5-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methoxy-5-methyl-1,3-thiazole is COc1nc(Cl)sc1C.
What is the InChIKey of 2-chloro-4-methoxy-5-methyl-1,3-thiazole?
The InChIKey is PQJNOCQCADOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-3-4(8-2)7-5(6)9-3/h1-2H3.
What are the key properties of 2-chloro-4-methoxy-5-methyl-1,3-thiazole?
2-chloro-4-methoxy-5-methyl-1,3-thiazole has a molecular weight of 163.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-methyl-1,3-thiazole is sourced from PubChem (CID 142407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).