N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine

C16H15N5O2S — CID 10236860

IUPACN-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine
SMILESCOc1cccc(Oc2nnc(C3CC3)c(Nc3cscn3)n2)c1
InChIInChI=1S/C16H15N5O2S/c1-22-11-3-2-4-12(7-11)23-16-19-15(18-13-8-24-9-17-13)14(20-21-16)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,18,19,21)
InChIKeyIOFKLXKJNPHUQF-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.75
Rot. Bonds6

About N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine

N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine (PubChem CID 10236860) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine
PubChem CID10236860
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine
SMILESCOc1cccc(Oc2nnc(C3CC3)c(Nc3cscn3)n2)c1
InChIInChI=1S/C16H15N5O2S/c1-22-11-3-2-4-12(7-11)23-16-19-15(18-13-8-24-9-17-13)14(20-21-16)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,18,19,21)
InChIKeyIOFKLXKJNPHUQF-UHFFFAOYSA-N
XLogP3.75
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine?
The IUPAC name of N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine (CID 10236860) is N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine?
The canonical SMILES for N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine is COc1cccc(Oc2nnc(C3CC3)c(Nc3cscn3)n2)c1.
What is the InChIKey of N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine?
The InChIKey is IOFKLXKJNPHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-22-11-3-2-4-12(7-11)23-16-19-15(18-13-8-24-9-17-13)14(20-21-16)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,18,19,21).
What are the key properties of N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine?
N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine has a molecular weight of 341.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyl-3-(3-methoxyphenoxy)-1,2,4-triazin-5-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 10236860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).