2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine

C16H14FN5OS — CID 118262481

IUPAC2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine
SMILESCn1c2ccncc2c2ccc(Nc3csc(OCCF)n3)nc21
InChIInChI=1S/C16H14FN5OS/c1-22-12-4-6-18-8-11(12)10-2-3-13(20-15(10)22)19-14-9-24-16(21-14)23-7-5-17/h2-4,6,8-9H,5,7H2,1H3,(H,19,20)
InChIKeyLNKIYXYYNOUWGI-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine

2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine (PubChem CID 118262481) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine
PubChem CID118262481
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine
SMILESCn1c2ccncc2c2ccc(Nc3csc(OCCF)n3)nc21
InChIInChI=1S/C16H14FN5OS/c1-22-12-4-6-18-8-11(12)10-2-3-13(20-15(10)22)19-14-9-24-16(21-14)23-7-5-17/h2-4,6,8-9H,5,7H2,1H3,(H,19,20)
InChIKeyLNKIYXYYNOUWGI-UHFFFAOYSA-N
XLogP3.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine (CID 118262481) is 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine is Cn1c2ccncc2c2ccc(Nc3csc(OCCF)n3)nc21.
What is the InChIKey of 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine?
The InChIKey is LNKIYXYYNOUWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-22-12-4-6-18-8-11(12)10-2-3-13(20-15(10)22)19-14-9-24-16(21-14)23-7-5-17/h2-4,6,8-9H,5,7H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine?
2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine has a molecular weight of 343.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-N-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 118262481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).