N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C17H13F3N4OS — CID 117079414

IUPACN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)12-3-5-13(6-4-12)24-16-23-10-14(26-16)15(25)22-9-11-2-1-7-21-8-11/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyJPQGPZCZXFMFDV-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.23
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117079414) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117079414
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC NameN-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)12-3-5-13(6-4-12)24-16-23-10-14(26-16)15(25)22-9-11-2-1-7-21-8-11/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyJPQGPZCZXFMFDV-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 N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117079414) is N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(NCc1cccnc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is JPQGPZCZXFMFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c18-17(19,20)12-3-5-13(6-4-12)24-16-23-10-14(26-16)15(25)22-9-11-2-1-7-21-8-11/h1-8,10H,9H2,(H,22,25)(H,23,24).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-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 N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117079414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).