[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone

C16H19N3O3S4 — CID 17052303

IUPAC[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone
SMILESCSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H19N3O3S4/c1-11-4-6-12(7-5-11)26(21,22)19-9-8-18(10-19)15(20)13-14(23-2)17-25-16(13)24-3/h4-7H,8-10H2,1-3H3
InChIKeySTPTWLCPIZIIGG-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.00
Rot. Bonds5

About [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone

[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone (PubChem CID 17052303) has the molecular formula C16H19N3O3S4 and a molecular weight of 429.61 g/mol. Its IUPAC name is [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone
PubChem CID17052303
Molecular FormulaC16H19N3O3S4
Molecular Weight429.61 g/mol
Exact Mass429.03
IUPAC Name[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone
SMILESCSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H19N3O3S4/c1-11-4-6-12(7-5-11)26(21,22)19-9-8-18(10-19)15(20)13-14(23-2)17-25-16(13)24-3/h4-7H,8-10H2,1-3H3
InChIKeySTPTWLCPIZIIGG-UHFFFAOYSA-N
XLogP3.00
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone?
The IUPAC name of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone (CID 17052303) is [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone?
The canonical SMILES for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone is CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone?
The InChIKey is STPTWLCPIZIIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S4/c1-11-4-6-12(7-5-11)26(21,22)19-9-8-18(10-19)15(20)13-14(23-2)17-25-16(13)24-3/h4-7H,8-10H2,1-3H3.
What are the key properties of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone?
[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone has a molecular weight of 429.61 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone is sourced from PubChem (CID 17052303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).