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

C16H19F3N8S — CID 130419637

IUPAC4-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
SMILESCCNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N8S/c1-5-21-11-10(16(17,18)19)6-22-14(25-11)26-12-9(2)24-13(28-12)15(3,4)27-8-20-7-23-27/h6-8H,5H2,1-4H3,(H2,21,22,25,26)
InChIKeyCCOSQJNCWMPOQW-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.81
Rot. Bonds6

About 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

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 (PubChem CID 130419637) has the molecular formula C16H19F3N8S and a molecular weight of 412.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID130419637
Molecular FormulaC16H19F3N8S
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name4-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
SMILESCCNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N8S/c1-5-21-11-10(16(17,18)19)6-22-14(25-11)26-12-9(2)24-13(28-12)15(3,4)27-8-20-7-23-27/h6-8H,5H2,1-4H3,(H2,21,22,25,26)
InChIKeyCCOSQJNCWMPOQW-UHFFFAOYSA-N
XLogP3.81
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130409012
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
CID 130419719
5-[4-amino-5-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 127032966
2-[4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130419515
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-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-[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
2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419730
[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-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carbonitrile
CID 156449161
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-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166765622

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNc1nc(Nc2sc(C(C)(C)n3cncn3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is CCOSQJNCWMPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N8S/c1-5-21-11-10(16(17,18)19)6-22-14(25-11)26-12-9(2)24-13(28-12)15(3,4)27-8-20-7-23-27/h6-8H,5H2,1-4H3,(H2,21,22,25,26).
What are the key properties of 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?
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 has a molecular weight of 412.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130419637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).