2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole

C7H11NO2S2 — CID 90717107

IUPAC2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C7H11NO2S2/c1-5(2)12(9,10)7-4-11-6(3)8-7/h4-5H,1-3H3
InChIKeyWKNSZWNUVZANPJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.63
Rot. Bonds2

About 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole

2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole (PubChem CID 90717107) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole
PubChem CID90717107
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)C(C)C)cs1
InChIInChI=1S/C7H11NO2S2/c1-5(2)12(9,10)7-4-11-6(3)8-7/h4-5H,1-3H3
InChIKeyWKNSZWNUVZANPJ-UHFFFAOYSA-N
XLogP1.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
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4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole
CID 167887084
2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
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4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
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4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
N-methyl-1-[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 42097167
CID 142019164
CID 142019164
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
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2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
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CID 55296429

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole (CID 90717107) is 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole is Cc1nc(S(=O)(=O)C(C)C)cs1.
What is the InChIKey of 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole?
The InChIKey is WKNSZWNUVZANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-5(2)12(9,10)7-4-11-6(3)8-7/h4-5H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole?
2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole has a molecular weight of 205.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 90717107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).