[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine

C17H16N2O2S3 — CID 155515256

IUPAC[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(Sc2cnc(CN)s2)cc(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O2S3/c1-24(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)22-17-11-19-16(10-18)23-17/h2-9,11H,10,18H2,1H3
InChIKeyXKUSIFRBNFXNAJ-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.82
Rot. Bonds5

About [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine

[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine (PubChem CID 155515256) has the molecular formula C17H16N2O2S3 and a molecular weight of 376.53 g/mol. Its IUPAC name is [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
PubChem CID155515256
Molecular FormulaC17H16N2O2S3
Molecular Weight376.53 g/mol
Exact Mass376.04
IUPAC Name[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(Sc2cnc(CN)s2)cc(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O2S3/c1-24(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)22-17-11-19-16(10-18)23-17/h2-9,11H,10,18H2,1H3
InChIKeyXKUSIFRBNFXNAJ-UHFFFAOYSA-N
XLogP3.82
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine (CID 155515256) is [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine is CS(=O)(=O)c1cc(Sc2cnc(CN)s2)cc(-c2ccccc2)c1.
What is the InChIKey of [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is XKUSIFRBNFXNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S3/c1-24(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)22-17-11-19-16(10-18)23-17/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine?
[5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 376.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 155515256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).