3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C17H16F3N5OS — CID 56848194

IUPAC3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1
InChIInChI=1S/C17H16F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h4-9H,1-3H3,(H,22,23,26)
InChIKeyHJACBAFAMKZJRH-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.56
Rot. Bonds4

About 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 56848194) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID56848194
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1
InChIInChI=1S/C17H16F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h4-9H,1-3H3,(H,22,23,26)
InChIKeyHJACBAFAMKZJRH-UHFFFAOYSA-N
XLogP4.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 56848194) is 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1.
What is the InChIKey of 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is HJACBAFAMKZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14/h4-9H,1-3H3,(H,22,23,26).
What are the key properties of 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56848194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).