3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C11H9F3N4OS — CID 86607572

IUPAC3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(N)c(C(=O)Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H9F3N4OS/c1-5-2-3-6(15)8(16-5)9(19)18-10-17-7(4-20-10)11(12,13)14/h2-4H,15H2,1H3,(H,17,18,19)
InChIKeyXNDYZXWEMGEUTR-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 86607572) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID86607572
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(N)c(C(=O)Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H9F3N4OS/c1-5-2-3-6(15)8(16-5)9(19)18-10-17-7(4-20-10)11(12,13)14/h2-4H,15H2,1H3,(H,17,18,19)
InChIKeyXNDYZXWEMGEUTR-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 86607572) is 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1ccc(N)c(C(=O)Nc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is XNDYZXWEMGEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c1-5-2-3-6(15)8(16-5)9(19)18-10-17-7(4-20-10)11(12,13)14/h2-4H,15H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86607572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).