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

C17H14F3N5OS — CID 59022942

IUPAC2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc(N)n2)n1
InChIInChI=1S/C17H14F3N5OS/c1-9-8-27-15(23-9)13-6-12(24-16(21)25-13)14(26)22-7-10-3-2-4-11(5-10)17(18,19)20/h2-6,8H,7H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyGQDNNIDGCHGQFL-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.44
Rot. Bonds4

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

2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 59022942) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID59022942
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCc1csc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc(N)n2)n1
InChIInChI=1S/C17H14F3N5OS/c1-9-8-27-15(23-9)13-6-12(24-16(21)25-13)14(26)22-7-10-3-2-4-11(5-10)17(18,19)20/h2-6,8H,7H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyGQDNNIDGCHGQFL-UHFFFAOYSA-N
XLogP3.44
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 59022913
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
4-[3,3-difluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-4-pyridinyl]propyl]benzoic acid
CID 11591282
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065939
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide (CID 59022942) is 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide is Cc1csc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc(N)n2)n1.
What is the InChIKey of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is GQDNNIDGCHGQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-9-8-27-15(23-9)13-6-12(24-16(21)25-13)14(26)22-7-10-3-2-4-11(5-10)17(18,19)20/h2-6,8H,7H2,1H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide?
2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methyl-1,3-thiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59022942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).