[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone

C13H10F3N7OS — CID 159930775

IUPAC[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
SMILESCc1nc(Nc2sc(C(=O)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H10F3N7OS/c1-6-8(13(14,15)16)3-18-12(21-6)22-9-7(2)20-10(25-9)11(24)23-5-17-4-19-23/h3-5H,1-2H3,(H,18,21,22)
InChIKeyOGUJLFRTWLFASO-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.59
Rot. Bonds3

About [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone

[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone (PubChem CID 159930775) has the molecular formula C13H10F3N7OS and a molecular weight of 369.33 g/mol. Its IUPAC name is [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
PubChem CID159930775
Molecular FormulaC13H10F3N7OS
Molecular Weight369.33 g/mol
Exact Mass369.06
IUPAC Name[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
SMILESCc1nc(Nc2sc(C(=O)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H10F3N7OS/c1-6-8(13(14,15)16)3-18-12(21-6)22-9-7(2)20-10(25-9)11(24)23-5-17-4-19-23/h3-5H,1-2H3,(H,18,21,22)
InChIKeyOGUJLFRTWLFASO-UHFFFAOYSA-N
XLogP2.59
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone with MolForge

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Related Compounds

[4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
CID 156449159
4-methyl-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 158767139
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 160840380
4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 158767137
(3,3-Difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone
CID 158767138
N,4-dimethyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carboxamide
CID 161948396
3-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
CID 160840381

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone (CID 159930775) is [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone is Cc1nc(Nc2sc(C(=O)n3cncn3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone?
The InChIKey is OGUJLFRTWLFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7OS/c1-6-8(13(14,15)16)3-18-12(21-6)22-9-7(2)20-10(25-9)11(24)23-5-17-4-19-23/h3-5H,1-2H3,(H,18,21,22).
What are the key properties of [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone?
[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone has a molecular weight of 369.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 159930775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).