5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C15H12F3N5O2S — CID 144595147

IUPAC5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)sc2N)cn1
InChIInChI=1S/C15H12F3N5O2S/c1-23-7-8(6-20-23)21-13(24)11-12(19)26-14(22-11)9-4-2-3-5-10(9)25-15(16,17)18/h2-7H,19H2,1H3,(H,21,24)
InChIKeyUIWWZKYVGHAGER-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.28
Rot. Bonds4

About 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 144595147) has the molecular formula C15H12F3N5O2S and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID144595147
Molecular FormulaC15H12F3N5O2S
Molecular Weight383.36 g/mol
Exact Mass383.07
IUPAC Name5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)sc2N)cn1
InChIInChI=1S/C15H12F3N5O2S/c1-23-7-8(6-20-23)21-13(24)11-12(19)26-14(22-11)9-4-2-3-5-10(9)25-15(16,17)18/h2-7H,19H2,1H3,(H,21,24)
InChIKeyUIWWZKYVGHAGER-UHFFFAOYSA-N
XLogP3.28
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 144595147) is 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2nc(-c3ccccc3OC(F)(F)F)sc2N)cn1.
What is the InChIKey of 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UIWWZKYVGHAGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S/c1-23-7-8(6-20-23)21-13(24)11-12(19)26-14(22-11)9-4-2-3-5-10(9)25-15(16,17)18/h2-7H,19H2,1H3,(H,21,24).
What are the key properties of 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylpyrazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144595147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).