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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

C15H16F3N7S — CID 158767139

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-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
SMILESCc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H16F3N7S/c1-8-10(15(16,17)18)5-20-13(23-8)24-11-9(2)22-12(26-11)14(3,4)25-7-19-6-21-25/h5-7H,1-4H3,(H,20,23,24)
InChIKeySUUFKFGDFHAIRB-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.69
Rot. Bonds4

About 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

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 (PubChem CID 158767139) has the molecular formula C15H16F3N7S and a molecular weight of 383.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158767139
Molecular FormulaC15H16F3N7S
Molecular Weight383.40 g/mol
Exact Mass383.11
IUPAC Name4-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
SMILESCc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H16F3N7S/c1-8-10(15(16,17)18)5-20-13(23-8)24-11-9(2)22-12(26-11)14(3,4)25-7-19-6-21-25/h5-7H,1-4H3,(H,20,23,24)
InChIKeySUUFKFGDFHAIRB-UHFFFAOYSA-N
XLogP3.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is SUUFKFGDFHAIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7S/c1-8-10(15(16,17)18)5-20-13(23-8)24-11-9(2)22-12(26-11)14(3,4)25-7-19-6-21-25/h5-7H,1-4H3,(H,20,23,24).
What are the key properties of 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?
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 has a molecular weight of 383.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158767139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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