2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol

C7H11NO3S2 — CID 130604877

IUPAC2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(O)CS(C)(=O)=O)sn1
InChIInChI=1S/C7H11NO3S2/c1-5-3-7(12-8-5)6(9)4-13(2,10)11/h3,6,9H,4H2,1-2H3
InChIKeyQHOPBBJYHDWOIP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.53
Rot. Bonds3

About 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol

2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol (PubChem CID 130604877) has the molecular formula C7H11NO3S2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
PubChem CID130604877
Molecular FormulaC7H11NO3S2
Molecular Weight221.30 g/mol
Exact Mass221.02
IUPAC Name2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc(C(O)CS(C)(=O)=O)sn1
InChIInChI=1S/C7H11NO3S2/c1-5-3-7(12-8-5)6(9)4-13(2,10)11/h3,6,9H,4H2,1-2H3
InChIKeyQHOPBBJYHDWOIP-UHFFFAOYSA-N
XLogP0.53
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
3-Ethyl-5-isothiazolemethanol 5-methanesulfonate
CID 89816475
3-Ethyl-5-isothiazolemethanol
CID 89816508
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130604864
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
(3-Methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130835212
1,4-Dithian-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130905277
2-Methylsulfonyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130952216

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol (CID 130604877) is 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol is Cc1cc(C(O)CS(C)(=O)=O)sn1.
What is the InChIKey of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The InChIKey is QHOPBBJYHDWOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S2/c1-5-3-7(12-8-5)6(9)4-13(2,10)11/h3,6,9H,4H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130604877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).