2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole

C11H11NO2S2 — CID 66972700

IUPAC2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H11NO2S2/c1-16(13,14)8-11-12-10(7-15-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyOMQOPCDBPCVCES-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.35
Rot. Bonds3

About 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole

2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole (PubChem CID 66972700) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
PubChem CID66972700
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H11NO2S2/c1-16(13,14)8-11-12-10(7-15-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyOMQOPCDBPCVCES-UHFFFAOYSA-N
XLogP2.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4-phenyl-1,3-thiazol-2-yl)methanesulfonate
CID 175209134
3-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]aniline
CID 62474009
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105320678
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethanesulfonamide
CID 106336093
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-ylsulfonylbutan-2-one
CID 58287658

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole (CID 66972700) is 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole is CS(=O)(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole?
The InChIKey is OMQOPCDBPCVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-16(13,14)8-11-12-10(7-15-11)9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole?
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole has a molecular weight of 253.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 66972700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).