N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine

C13H17N5OS — CID 665219

IUPACN-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOCCN1CN=C(Nc2nc3ccccc3s2)NC1
InChIInChI=1S/C13H17N5OS/c1-19-7-6-18-8-14-12(15-9-18)17-13-16-10-4-2-3-5-11(10)20-13/h2-5H,6-9H2,1H3,(H2,14,15,16,17)
InChIKeyUPTPAYQILKQVJV-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.53
Rot. Bonds4

About N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine

N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 665219) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID665219
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOCCN1CN=C(Nc2nc3ccccc3s2)NC1
InChIInChI=1S/C13H17N5OS/c1-19-7-6-18-8-14-12(15-9-18)17-13-16-10-4-2-3-5-11(10)20-13/h2-5H,6-9H2,1H3,(H2,14,15,16,17)
InChIKeyUPTPAYQILKQVJV-UHFFFAOYSA-N
XLogP1.53
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (CID 665219) is N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is COCCN1CN=C(Nc2nc3ccccc3s2)NC1.
What is the InChIKey of N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is UPTPAYQILKQVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-19-7-6-18-8-14-12(15-9-18)17-13-16-10-4-2-3-5-11(10)20-13/h2-5H,6-9H2,1H3,(H2,14,15,16,17).
What are the key properties of N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine has a molecular weight of 291.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 665219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).