6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine

C16H17FN6O2S2 — CID 73293190

IUPAC6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1
InChIInChI=1S/C16H17FN6O2S2/c1-24-12-3-2-10(25-5-4-17)6-11(12)13-20-9(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
InChIKeyYQQYHVCCFDLDIQ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.81
Rot. Bonds8

About 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine

6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 73293190) has the molecular formula C16H17FN6O2S2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID73293190
Molecular FormulaC16H17FN6O2S2
Molecular Weight408.48 g/mol
Exact Mass408.08
IUPAC Name6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1
InChIInChI=1S/C16H17FN6O2S2/c1-24-12-3-2-10(25-5-4-17)6-11(12)13-20-9(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
InChIKeyYQQYHVCCFDLDIQ-UHFFFAOYSA-N
XLogP2.81
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-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

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine (CID 73293190) is 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine is COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1.
What is the InChIKey of 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YQQYHVCCFDLDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2S2/c1-24-12-3-2-10(25-5-4-17)6-11(12)13-20-9(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23).
What are the key properties of 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine?
6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 408.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[5-(2-fluoroethoxy)-2-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 73293190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).