6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one

C18H16N6OS — CID 135430575

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one
SMILESCC(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1
InChIInChI=1S/C18H16N6OS/c1-11(12-5-3-2-4-6-12)20-16-22-17(24-18(25)23-16)21-13-7-8-14-15(9-13)26-10-19-14/h2-11H,1H3,(H3,20,21,22,23,24,25)
InChIKeyAXPFLJOHHUDXTE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.69
Rot. Bonds5

About 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one

6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one (PubChem CID 135430575) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one
PubChem CID135430575
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one
SMILESCC(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1
InChIInChI=1S/C18H16N6OS/c1-11(12-5-3-2-4-6-12)20-16-22-17(24-18(25)23-16)21-13-7-8-14-15(9-13)26-10-19-14/h2-11H,1H3,(H3,20,21,22,23,24,25)
InChIKeyAXPFLJOHHUDXTE-UHFFFAOYSA-N
XLogP3.69
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one with MolForge

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Related Compounds

6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
CID 135433946
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one
CID 135509841
6-(1,3-benzothiazol-6-ylamino)-4-[(5-thiophen-2-yl-2,3-dihydro-1H-pyrazol-3-yl)amino]-1H-1,3,5-triazin-2-one
CID 135507201
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-1H-1,3,5-triazin-2-one
CID 135430793
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one
CID 135485631
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
3-(1,3-benzothiazol-6-ylamino)-3-phenylpropanenitrile
CID 107804835
N-[3-[(1R)-1-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-1,3-benzothiazol-6-amine
CID 169133018

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one (CID 135430575) is 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one is CC(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is AXPFLJOHHUDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11(12-5-3-2-4-6-12)20-16-22-17(24-18(25)23-16)21-13-7-8-14-15(9-13)26-10-19-14/h2-11H,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one?
6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 364.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135430575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).