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

C4H4ClNOS — CID 19871495

IUPAC2-chloro-4-methoxy-1,3-thiazole
SMILESCOc1csc(Cl)n1
InChIInChI=1S/C4H4ClNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3
InChIKeyJQGBMYXTNXUBSI-UHFFFAOYSA-N
MW149.60 g/mol
LogP1.81
Rot. Bonds1

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

2-chloro-4-methoxy-1,3-thiazole (PubChem CID 19871495) has the molecular formula C4H4ClNOS and a molecular weight of 149.60 g/mol. Its IUPAC name is 2-chloro-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-methoxy-1,3-thiazole
PubChem CID19871495
Molecular FormulaC4H4ClNOS
Molecular Weight149.60 g/mol
Exact Mass148.97
IUPAC Name2-chloro-4-methoxy-1,3-thiazole
SMILESCOc1csc(Cl)n1
InChIInChI=1S/C4H4ClNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3
InChIKeyJQGBMYXTNXUBSI-UHFFFAOYSA-N
XLogP1.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.81
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-1,3-thiazole?
The IUPAC name of 2-chloro-4-methoxy-1,3-thiazole (CID 19871495) is 2-chloro-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-chloro-4-methoxy-1,3-thiazole is COc1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-methoxy-1,3-thiazole?
The InChIKey is JQGBMYXTNXUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNOS/c1-7-3-2-8-4(5)6-3/h2H,1H3.
What are the key properties of 2-chloro-4-methoxy-1,3-thiazole?
2-chloro-4-methoxy-1,3-thiazole has a molecular weight of 149.60 g/mol, XLogP of 1.81, 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-1,3-thiazole is sourced from PubChem (CID 19871495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).