4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole

C9H15NO2S2 — CID 163565018

IUPAC4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
SMILESCc1csc(C(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H15NO2S2/c1-7(4-5-14(3,11)12)9-10-8(2)6-13-9/h6-7H,4-5H2,1-3H3
InChIKeyFULRYTLBBPEXDT-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.99
Rot. Bonds4

About 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole

4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole (PubChem CID 163565018) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
PubChem CID163565018
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
SMILESCc1csc(C(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H15NO2S2/c1-7(4-5-14(3,11)12)9-10-8(2)6-13-9/h6-7H,4-5H2,1-3H3
InChIKeyFULRYTLBBPEXDT-UHFFFAOYSA-N
XLogP1.99
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
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1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
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[1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
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2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide
CID 110308152
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
CID 143800499
3-ethylsulfanyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 124852149
azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
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4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
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CID 42078005

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole (CID 163565018) is 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole is Cc1csc(C(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole?
The InChIKey is FULRYTLBBPEXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-7(4-5-14(3,11)12)9-10-8(2)6-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole?
4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole has a molecular weight of 233.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 163565018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).