2-[(S)-methylsulfinyl]-1,3-thiazole

C4H5NOS2 — CID 134969319

IUPAC2-[(S)-methylsulfinyl]-1,3-thiazole
SMILESC[S@](=O)c1nccs1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1
InChIKeyRQYMPCMLYRLKMZ-QMMMGPOBSA-N
MW147.22 g/mol
LogP0.88
Rot. Bonds1

About 2-[(S)-methylsulfinyl]-1,3-thiazole

2-[(S)-methylsulfinyl]-1,3-thiazole (PubChem CID 134969319) has the molecular formula C4H5NOS2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(S)-methylsulfinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(S)-methylsulfinyl]-1,3-thiazole
PubChem CID134969319
Molecular FormulaC4H5NOS2
Molecular Weight147.22 g/mol
Exact Mass146.98
IUPAC Name2-[(S)-methylsulfinyl]-1,3-thiazole
SMILESC[S@](=O)c1nccs1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1
InChIKeyRQYMPCMLYRLKMZ-QMMMGPOBSA-N
XLogP0.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylsulfinylphenyl)-1,3-thiazole
CID 123855062
2-methyl-1,3-thiazole;hydrate;hydrochloride
CID 22288455
azane;methane;2-methyl-1,3-thiazole;hydrochloride
CID 174730432
2-[(3S)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645460
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645438
ethane;2-methyl-1,3-thiazole;propane
CID 143558084
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120
tert-butyl 2-(1,3-thiazol-2-ylsulfinylmethyl)pyrrolidine-1-carboxylate
CID 71631501
tert-butyl (3S)-3-[[(R)-1,3-thiazol-2-ylsulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97171550
(E)-2-(4-methylsulfinylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 142933247
(213C)1,3-thiazol-2-amine
CID 87204445
3-methylsulfinyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 115711563

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methylsulfinyl]-1,3-thiazole?
The IUPAC name of 2-[(S)-methylsulfinyl]-1,3-thiazole (CID 134969319) is 2-[(S)-methylsulfinyl]-1,3-thiazole.
What is the SMILES notation for 2-[(S)-methylsulfinyl]-1,3-thiazole?
The canonical SMILES for 2-[(S)-methylsulfinyl]-1,3-thiazole is C[S@](=O)c1nccs1.
What is the InChIKey of 2-[(S)-methylsulfinyl]-1,3-thiazole?
The InChIKey is RQYMPCMLYRLKMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C4H5NOS2/c1-8(6)4-5-2-3-7-4/h2-3H,1H3/t8-/m0/s1.
What are the key properties of 2-[(S)-methylsulfinyl]-1,3-thiazole?
2-[(S)-methylsulfinyl]-1,3-thiazole has a molecular weight of 147.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methylsulfinyl]-1,3-thiazole is sourced from PubChem (CID 134969319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).