2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole

C9H14ClNO2S2 — CID 131007361

IUPAC2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)C(C)(C)CCl)sc1C
InChIInChI=1S/C9H14ClNO2S2/c1-6-7(2)14-8(11-6)15(12,13)9(3,4)5-10/h5H2,1-4H3
InChIKeyFGHFFKDFLKLYAE-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole

2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole (PubChem CID 131007361) has the molecular formula C9H14ClNO2S2 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole
PubChem CID131007361
Molecular FormulaC9H14ClNO2S2
Molecular Weight267.80 g/mol
Exact Mass267.02
IUPAC Name2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)C(C)(C)CCl)sc1C
InChIInChI=1S/C9H14ClNO2S2/c1-6-7(2)14-8(11-6)15(12,13)9(3,4)5-10/h5H2,1-4H3
InChIKeyFGHFFKDFLKLYAE-UHFFFAOYSA-N
XLogP2.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole (CID 131007361) is 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole is Cc1nc(S(=O)(=O)C(C)(C)CCl)sc1C.
What is the InChIKey of 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole?
The InChIKey is FGHFFKDFLKLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S2/c1-6-7(2)14-8(11-6)15(12,13)9(3,4)5-10/h5H2,1-4H3.
What are the key properties of 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole?
2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole has a molecular weight of 267.80 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylpropan-2-yl)sulfonyl-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 131007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).