[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine

C20H22N2O2S2 — CID 130345397

IUPAC[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C20H22N2O2S2/c1-20(2,3)16-9-15(14-7-5-4-6-8-14)10-17(11-16)26(23,24)19-13-22-18(12-21)25-19/h4-11,13H,12,21H2,1-3H3
InChIKeyHYCVXHVVBRZYLY-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.40
Rot. Bonds4

About [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine

[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130345397) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130345397
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C20H22N2O2S2/c1-20(2,3)16-9-15(14-7-5-4-6-8-14)10-17(11-16)26(23,24)19-13-22-18(12-21)25-19/h4-11,13H,12,21H2,1-3H3
InChIKeyHYCVXHVVBRZYLY-UHFFFAOYSA-N
XLogP4.40
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889325
[5-[3-Methylsulfonyl-5-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344969
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344977
[5-(3-Ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345060
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 130345096
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 130345097
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345145
[5-[3-(4-Fluorophenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345152
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345178
[5-(3-Phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345306
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358066
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
CID 155515256

Frequently Asked Questions

What is the IUPAC name of [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130345397) is [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is CC(C)(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is HYCVXHVVBRZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-20(2,3)16-9-15(14-7-5-4-6-8-14)10-17(11-16)26(23,24)19-13-22-18(12-21)25-19/h4-11,13H,12,21H2,1-3H3.
What are the key properties of [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 386.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).