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

C15H19N5OS — CID 4888815

IUPACN-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3=NCN(CC4CCCO4)CN3)nc2c1
InChIInChI=1S/C15H19N5OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-16-9-20(10-17-14)8-11-4-3-7-21-11/h1-2,5-6,11H,3-4,7-10H2,(H2,16,17,18,19)
InChIKeyKGWMFFXIVJGWDT-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.06
Rot. Bonds3

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

N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 4888815) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID4888815
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(NC3=NCN(CC4CCCO4)CN3)nc2c1
InChIInChI=1S/C15H19N5OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-16-9-20(10-17-14)8-11-4-3-7-21-11/h1-2,5-6,11H,3-4,7-10H2,(H2,16,17,18,19)
InChIKeyKGWMFFXIVJGWDT-UHFFFAOYSA-N
XLogP2.06
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (CID 4888815) is N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is c1ccc2sc(NC3=NCN(CC4CCCO4)CN3)nc2c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is KGWMFFXIVJGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-6-13-12(5-1)18-15(22-13)19-14-16-9-20(10-17-14)8-11-4-3-7-21-11/h1-2,5-6,11H,3-4,7-10H2,(H2,16,17,18,19).
What are the key properties of N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine has a molecular weight of 317.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4888815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).