4-methylsulfinyl-1,3-thiazole

C4H5NOS2 — CID 154436442

IUPAC4-methylsulfinyl-1,3-thiazole
SMILESCS(=O)c1cscn1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-2-7-3-5-4/h2-3H,1H3
InChIKeyDCMPVLHPOHQGMT-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.88
Rot. Bonds1

About 4-methylsulfinyl-1,3-thiazole

4-methylsulfinyl-1,3-thiazole (PubChem CID 154436442) has the molecular formula C4H5NOS2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-methylsulfinyl-1,3-thiazole.

Molecular Properties

Compound Name4-methylsulfinyl-1,3-thiazole
PubChem CID154436442
Molecular FormulaC4H5NOS2
Molecular Weight147.22 g/mol
Exact Mass146.98
IUPAC Name4-methylsulfinyl-1,3-thiazole
SMILESCS(=O)c1cscn1
InChIInChI=1S/C4H5NOS2/c1-8(6)4-2-7-3-5-4/h2-3H,1H3
InChIKeyDCMPVLHPOHQGMT-UHFFFAOYSA-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

ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
CID 90793423
ethane;4-methyl-1,3-thiazole
CID 67067033
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
CID 155213884
1,3-thiazol-4-ylphosphane
CID 23047202
2-methyl-4-[2-(1,3-thiazol-4-yl)ethynyl]-1,3-thiazole
CID 70088513
4-ethynyl-1,3-thiazole;methane
CID 158779504
1,3-thiazol-4-yl methanesulfonate
CID 23036579
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
6-[(R)-methylsulfinyl]pyridine-3-carbaldehyde
CID 129383921
N-(1,3-thiazol-4-yl)methanesulfonamide
CID 135331205
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one
CID 106953213

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-1,3-thiazole?
The IUPAC name of 4-methylsulfinyl-1,3-thiazole (CID 154436442) is 4-methylsulfinyl-1,3-thiazole.
What is the SMILES notation for 4-methylsulfinyl-1,3-thiazole?
The canonical SMILES for 4-methylsulfinyl-1,3-thiazole is CS(=O)c1cscn1.
What is the InChIKey of 4-methylsulfinyl-1,3-thiazole?
The InChIKey is DCMPVLHPOHQGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS2/c1-8(6)4-2-7-3-5-4/h2-3H,1H3.
What are the key properties of 4-methylsulfinyl-1,3-thiazole?
4-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 4-methylsulfinyl-1,3-thiazole is sourced from PubChem (CID 154436442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).