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

C17H17N5S — CID 946694

IUPACN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1
InChIInChI=1S/C17H17N5S/c1-2-6-13(7-3-1)10-22-11-18-16(19-12-22)21-17-20-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H2,18,19,20,21)
InChIKeyKCXUCCDSPWSBOC-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.08
Rot. Bonds3

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

N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine (PubChem CID 946694) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine
PubChem CID946694
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1
InChIInChI=1S/C17H17N5S/c1-2-6-13(7-3-1)10-22-11-18-16(19-12-22)21-17-20-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H2,18,19,20,21)
InChIKeyKCXUCCDSPWSBOC-UHFFFAOYSA-N
XLogP3.08
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine (CID 946694) is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine is c1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1.
What is the InChIKey of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine?
The InChIKey is KCXUCCDSPWSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-2-6-13(7-3-1)10-22-11-18-16(19-12-22)21-17-20-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H2,18,19,20,21).
What are the key properties of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine?
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine has a molecular weight of 323.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 946694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).