5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine

C12H14N2O2S3 — CID 2761278

IUPAC5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
SMILESCC(C)Sc1nc(N)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H14N2O2S3/c1-8(2)17-12-14-10(13)11(18-12)19(15,16)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3
InChIKeyUQHXEZBHUIHZAS-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.06
Rot. Bonds4

About 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine

5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine (PubChem CID 2761278) has the molecular formula C12H14N2O2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
PubChem CID2761278
Molecular FormulaC12H14N2O2S3
Molecular Weight314.46 g/mol
Exact Mass314.02
IUPAC Name5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
SMILESCC(C)Sc1nc(N)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C12H14N2O2S3/c1-8(2)17-12-14-10(13)11(18-12)19(15,16)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3
InChIKeyUQHXEZBHUIHZAS-UHFFFAOYSA-N
XLogP3.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine (CID 2761278) is 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine is CC(C)Sc1nc(N)c(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine?
The InChIKey is UQHXEZBHUIHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S3/c1-8(2)17-12-14-10(13)11(18-12)19(15,16)9-6-4-3-5-7-9/h3-8H,13H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine?
5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine has a molecular weight of 314.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine is sourced from PubChem (CID 2761278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).