2-ethylsulfinyl-4-methyl-1,3-thiazole

C6H9NOS2 — CID 71369938

IUPAC2-ethylsulfinyl-4-methyl-1,3-thiazole
SMILESCCS(=O)c1nc(C)cs1
InChIInChI=1S/C6H9NOS2/c1-3-10(8)6-7-5(2)4-9-6/h4H,3H2,1-2H3
InChIKeyMMOQURNWKBQENT-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.58
Rot. Bonds2

About 2-ethylsulfinyl-4-methyl-1,3-thiazole

2-ethylsulfinyl-4-methyl-1,3-thiazole (PubChem CID 71369938) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-ethylsulfinyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethylsulfinyl-4-methyl-1,3-thiazole
PubChem CID71369938
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name2-ethylsulfinyl-4-methyl-1,3-thiazole
SMILESCCS(=O)c1nc(C)cs1
InChIInChI=1S/C6H9NOS2/c1-3-10(8)6-7-5(2)4-9-6/h4H,3H2,1-2H3
InChIKeyMMOQURNWKBQENT-UHFFFAOYSA-N
XLogP1.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 99832911
2-ethyl-4-methyl-1,3-thiazole
CID 27440
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
4-methyl-2-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-thiazole
CID 124621495
2,4-dimethyl-1,3-thiazole;octane
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CID 115630862
1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
2-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 61333036
N-but-1-en-2-yl-4-methyl-1,3-thiazol-2-amine
CID 143219877
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-ethylsulfinyl-4-methyl-1,3-thiazole (CID 71369938) is 2-ethylsulfinyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethylsulfinyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-ethylsulfinyl-4-methyl-1,3-thiazole is CCS(=O)c1nc(C)cs1.
What is the InChIKey of 2-ethylsulfinyl-4-methyl-1,3-thiazole?
The InChIKey is MMOQURNWKBQENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-3-10(8)6-7-5(2)4-9-6/h4H,3H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-4-methyl-1,3-thiazole?
2-ethylsulfinyl-4-methyl-1,3-thiazole has a molecular weight of 175.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 71369938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).