4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole

C13H15NO3S2 — CID 47822854

IUPAC4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C13H15NO3S2/c1-3-17-12-4-6-13(7-5-12)19(15,16)9-11-8-18-10(2)14-11/h4-8H,3,9H2,1-2H3
InChIKeyDMDNIOGJKRQSQN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.82
Rot. Bonds5

About 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole

4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole (PubChem CID 47822854) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
PubChem CID47822854
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C13H15NO3S2/c1-3-17-12-4-6-13(7-5-12)19(15,16)9-11-8-18-10(2)14-11/h4-8H,3,9H2,1-2H3
InChIKeyDMDNIOGJKRQSQN-UHFFFAOYSA-N
XLogP2.82
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]acetic acid
CID 43440371
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CID 3245366
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
(2R)-1-(4-ethoxyphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50829110
N-(4-ethoxyphenyl)sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 103597971
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-ethoxybenzenesulfonamide
CID 108783775
2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
CID 64717531
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852315
4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723612
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]aniline
CID 81183565

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole (CID 47822854) is 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole is CCOc1ccc(S(=O)(=O)Cc2csc(C)n2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is DMDNIOGJKRQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-3-17-12-4-6-13(7-5-12)19(15,16)9-11-8-18-10(2)14-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole?
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 297.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 47822854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).