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

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

Analyze 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 with MolForge

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Related Compounds

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 130419636
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 130419638
4-N-methyl-2-N-[4-methyl-2-[1-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419522
4-N-ethyl-2-N-[4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419637
4-N-methyl-2-N-[4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419640
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 138482887
1-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]cyclopropane-1-carbonitrile
CID 160108775
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 160840380
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(triazol-2-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 162218871
1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 112418947
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
2-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 159930774

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).