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

C10H10N2O2S3 — CID 2761277

IUPAC5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S3/c1-15-10-12-8(11)9(16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChIKeyLCVIYMPXPXZRLD-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.28
Rot. Bonds3

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

5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine (PubChem CID 2761277) has the molecular formula C10H10N2O2S3 and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine
PubChem CID2761277
Molecular FormulaC10H10N2O2S3
Molecular Weight286.40 g/mol
Exact Mass285.99
IUPAC Name5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H10N2O2S3/c1-15-10-12-8(11)9(16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChIKeyLCVIYMPXPXZRLD-UHFFFAOYSA-N
XLogP2.28
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine (CID 2761277) is 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine is CSc1nc(N)c(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine?
The InChIKey is LCVIYMPXPXZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S3/c1-15-10-12-8(11)9(16-10)17(13,14)7-5-3-2-4-6-7/h2-6H,11H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine?
5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine has a molecular weight of 286.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methylsulfanyl-1,3-thiazol-4-amine is sourced from PubChem (CID 2761277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).