[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

C15H13F3N4O2S2 — CID 130345138

IUPAC[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCn1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1
InChIInChI=1S/C15H13F3N4O2S2/c1-22-8-10(6-21-22)9-2-11(15(16,17)18)4-12(3-9)26(23,24)14-7-20-13(5-19)25-14/h2-4,6-8H,5,19H2,1H3
InChIKeyIQIWKCYISJDHLG-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.85
Rot. Bonds4

About [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine

[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130345138) has the molecular formula C15H13F3N4O2S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130345138
Molecular FormulaC15H13F3N4O2S2
Molecular Weight402.42 g/mol
Exact Mass402.04
IUPAC Name[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCn1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1
InChIInChI=1S/C15H13F3N4O2S2/c1-22-8-10(6-21-22)9-2-11(15(16,17)18)4-12(3-9)26(23,24)14-7-20-13(5-19)25-14/h2-4,6-8H,5,19H2,1H3
InChIKeyIQIWKCYISJDHLG-UHFFFAOYSA-N
XLogP2.85
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

CID 130345110
CID 130345110
[4-[3-Ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358344
[5-[3-Fluoro-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358354
[5-[3-(1-Methylpyrazol-4-yl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 155525579
[5-[3-Chloro-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 155560147
[4-[3-(1-Methylpyrazol-4-yl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 155564105
US10807974, Example 136
CID 130344872
[5-[3-Ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 130345109
US10807974, Example 154
CID 130358098
US10807974, Example 116
CID 130358315
[4-[3-Ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;trihydrochloride
CID 141671556
[5-[3-Fluoro-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;trihydrochloride
CID 141720491

Frequently Asked Questions

What is the IUPAC name of [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130345138) is [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is Cn1cc(-c2cc(C(F)(F)F)cc(S(=O)(=O)c3cnc(CN)s3)c2)cn1.
What is the InChIKey of [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is IQIWKCYISJDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S2/c1-22-8-10(6-21-22)9-2-11(15(16,17)18)4-12(3-9)26(23,24)14-7-20-13(5-19)25-14/h2-4,6-8H,5,19H2,1H3.
What are the key properties of [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 402.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).