[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine

C19H20N2O2S2 — CID 130345306

IUPAC[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H20N2O2S2/c1-13(2)15-8-16(14-6-4-3-5-7-14)10-17(9-15)25(22,23)19-12-21-18(11-20)24-19/h3-10,12-13H,11,20H2,1-2H3
InChIKeyULVUJUFHRMWXTK-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.22
Rot. Bonds5

About [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine

[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130345306) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130345306
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C19H20N2O2S2/c1-13(2)15-8-16(14-6-4-3-5-7-14)10-17(9-15)25(22,23)19-12-21-18(11-20)24-19/h3-10,12-13H,11,20H2,1-2H3
InChIKeyULVUJUFHRMWXTK-UHFFFAOYSA-N
XLogP4.22
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130345306) is [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is CC(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is ULVUJUFHRMWXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-13(2)15-8-16(14-6-4-3-5-7-14)10-17(9-15)25(22,23)19-12-21-18(11-20)24-19/h3-10,12-13H,11,20H2,1-2H3.
What are the key properties of [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 372.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).