5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C15H10F3N5OS — CID 11501472

IUPAC5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1ncsc1Nc1cccnc1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-4-1-5-11(22-10)23-13(24)12-14(25-8-20-12)21-9-3-2-6-19-7-9/h1-8,21H,(H,22,23,24)
InChIKeyKYQKLUCSEFKGSQ-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.95
Rot. Bonds4

About 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 11501472) has the molecular formula C15H10F3N5OS and a molecular weight of 365.34 g/mol. Its IUPAC name is 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID11501472
Molecular FormulaC15H10F3N5OS
Molecular Weight365.34 g/mol
Exact Mass365.06
IUPAC Name5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1ncsc1Nc1cccnc1
InChIInChI=1S/C15H10F3N5OS/c16-15(17,18)10-4-1-5-11(22-10)23-13(24)12-14(25-8-20-12)21-9-3-2-6-19-7-9/h1-8,21H,(H,22,23,24)
InChIKeyKYQKLUCSEFKGSQ-UHFFFAOYSA-N
XLogP3.95
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 11501472) is 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)c1ncsc1Nc1cccnc1.
What is the InChIKey of 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KYQKLUCSEFKGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5OS/c16-15(17,18)10-4-1-5-11(22-10)23-13(24)12-14(25-8-20-12)21-9-3-2-6-19-7-9/h1-8,21H,(H,22,23,24).
What are the key properties of 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylamino)-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11501472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).