N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine

C13H16N2O4S3 — CID 1295310

IUPACN,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1
InChIInChI=1S/C13H16N2O4S3/c1-9-5-7-10(8-6-9)22(18,19)11-12(15(2)3)20-13(14-11)21(4,16)17/h5-8H,1-4H3
InChIKeyAYNZZBGHKIJCDG-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.75
Rot. Bonds4

About N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine

N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine (PubChem CID 1295310) has the molecular formula C13H16N2O4S3 and a molecular weight of 360.48 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine
PubChem CID1295310
Molecular FormulaC13H16N2O4S3
Molecular Weight360.48 g/mol
Exact Mass360.03
IUPAC NameN,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1
InChIInChI=1S/C13H16N2O4S3/c1-9-5-7-10(8-6-9)22(18,19)11-12(15(2)3)20-13(14-11)21(4,16)17/h5-8H,1-4H3
InChIKeyAYNZZBGHKIJCDG-UHFFFAOYSA-N
XLogP1.75
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The IUPAC name of N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine (CID 1295310) is N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine?
The InChIKey is AYNZZBGHKIJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S3/c1-9-5-7-10(8-6-9)22(18,19)11-12(15(2)3)20-13(14-11)21(4,16)17/h5-8H,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine?
N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine has a molecular weight of 360.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 1295310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).