2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H14F3N5OS — CID 71783835

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)n1
InChIInChI=1S/C17H14F3N5OS/c1-9-7-10(2)22-15(21-9)25-16-24-13(8-27-16)14(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyKSEYWKHUPJPUJH-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.56
Rot. Bonds4

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 71783835) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID71783835
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)n1
InChIInChI=1S/C17H14F3N5OS/c1-9-7-10(2)22-15(21-9)25-16-24-13(8-27-16)14(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25)
InChIKeyKSEYWKHUPJPUJH-UHFFFAOYSA-N
XLogP4.56
TPSA79.80 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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 71783835) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KSEYWKHUPJPUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-9-7-10(2)22-15(21-9)25-16-24-13(8-27-16)14(26)23-12-5-3-11(4-6-12)17(18,19)20/h3-8H,1-2H3,(H,23,26)(H,21,22,24,25).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71783835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).