N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine

C21H16N6OS — CID 91353474

IUPACN-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine
SMILESc1ccc(COc2cccc(N(c3cncs3)c3ncnn4cncc34)c2)cc1
InChIInChI=1S/C21H16N6OS/c1-2-5-16(6-3-1)12-28-18-8-4-7-17(9-18)27(20-11-23-15-29-20)21-19-10-22-14-26(19)25-13-24-21/h1-11,13-15H,12H2
InChIKeyWUYPXNDEOKXMKE-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.63
Rot. Bonds6

About N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine

N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine (PubChem CID 91353474) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine
PubChem CID91353474
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC NameN-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine
SMILESc1ccc(COc2cccc(N(c3cncs3)c3ncnn4cncc34)c2)cc1
InChIInChI=1S/C21H16N6OS/c1-2-5-16(6-3-1)12-28-18-8-4-7-17(9-18)27(20-11-23-15-29-20)21-19-10-22-14-26(19)25-13-24-21/h1-11,13-15H,12H2
InChIKeyWUYPXNDEOKXMKE-UHFFFAOYSA-N
XLogP4.63
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine?
The IUPAC name of N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine (CID 91353474) is N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine is c1ccc(COc2cccc(N(c3cncs3)c3ncnn4cncc34)c2)cc1.
What is the InChIKey of N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine?
The InChIKey is WUYPXNDEOKXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6OS/c1-2-5-16(6-3-1)12-28-18-8-4-7-17(9-18)27(20-11-23-15-29-20)21-19-10-22-14-26(19)25-13-24-21/h1-11,13-15H,12H2.
What are the key properties of N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine?
N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine has a molecular weight of 400.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazo[5,1-f][1,2,4]triazin-4-yl-N-(3-phenylmethoxyphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 91353474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).