4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole

C6H9NOS2 — CID 119088658

IUPAC4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole
SMILESCOc1csc(CSC)n1
InChIInChI=1S/C6H9NOS2/c1-8-5-3-10-6(7-5)4-9-2/h3H,4H2,1-2H3
InChIKeyAOMCZALVZJPNTQ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.01
Rot. Bonds3

About 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole

4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole (PubChem CID 119088658) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole
PubChem CID119088658
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole
SMILESCOc1csc(CSC)n1
InChIInChI=1S/C6H9NOS2/c1-8-5-3-10-6(7-5)4-9-2/h3H,4H2,1-2H3
InChIKeyAOMCZALVZJPNTQ-UHFFFAOYSA-N
XLogP2.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole (CID 119088658) is 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole is COc1csc(CSC)n1.
What is the InChIKey of 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole?
The InChIKey is AOMCZALVZJPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-8-5-3-10-6(7-5)4-9-2/h3H,4H2,1-2H3.
What are the key properties of 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole?
4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole has a molecular weight of 175.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 119088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).