2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C17H13F3N4OS — CID 58529089

IUPAC2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)12-5-3-4-11(8-12)9-22-15(25)13-10-26-16(23-13)24-14-6-1-2-7-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24)
InChIKeyVCBMEORTOVIFIL-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.23
Rot. Bonds5

About 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58529089) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID58529089
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)12-5-3-4-11(8-12)9-22-15(25)13-10-26-16(23-13)24-14-6-1-2-7-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24)
InChIKeyVCBMEORTOVIFIL-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 58529089) is 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VCBMEORTOVIFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c18-17(19,20)12-5-3-4-11(8-12)9-22-15(25)13-10-26-16(23-13)24-14-6-1-2-7-21-14/h1-8,10H,9H2,(H,22,25)(H,21,23,24).
What are the key properties of 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58529089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).