2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14ClF3N8S — CID 130419645

IUPAC2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N8S/c1-13(2,26-6-20-5-22-26)11-23-8(15)10(27-11)25-12-21-4-7(14(16,17)18)9(19-3)24-12/h4-6H,1-3H3,(H2,19,21,24,25)
InChIKeyFNJNYOLGSLFZTA-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.77
Rot. Bonds5

About 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 130419645) has the molecular formula C14H14ClF3N8S and a molecular weight of 418.84 g/mol. Its IUPAC name is 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID130419645
Molecular FormulaC14H14ClF3N8S
Molecular Weight418.84 g/mol
Exact Mass418.07
IUPAC Name2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H14ClF3N8S/c1-13(2,26-6-20-5-22-26)11-23-8(15)10(27-11)25-12-21-4-7(14(16,17)18)9(19-3)24-12/h4-6H,1-3H3,(H2,19,21,24,25)
InChIKeyFNJNYOLGSLFZTA-UHFFFAOYSA-N
XLogP3.77
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 130419716
2-[4-Chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 130419725
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
2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 138482853
2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 138482855
N-[1-(5-chloro-1,3-thiazol-2-yl)ethyl]-1-[5-(difluoromethyl)pyrimidin-2-yl]pyrazol-3-amine
CID 178682734
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 130419645) is 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is FNJNYOLGSLFZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N8S/c1-13(2,26-6-20-5-22-26)11-23-8(15)10(27-11)25-12-21-4-7(14(16,17)18)9(19-3)24-12/h4-6H,1-3H3,(H2,19,21,24,25).
What are the key properties of 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 418.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130419645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).