6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one

C19H18N6OS — CID 135509841

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one
SMILESCCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
InChIInChI=1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26)
InChIKeyCUTRRQNUXLUQCJ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.54
Rot. Bonds6

About 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one

6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one (PubChem CID 135509841) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one
PubChem CID135509841
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one
SMILESCCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
InChIInChI=1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26)
InChIKeyCUTRRQNUXLUQCJ-UHFFFAOYSA-N
XLogP3.54
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzothiazol-6-ylamino)-4-[benzyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-1H-1,3,5-triazin-2-one
CID 135430793
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one
CID 135485631
6-(1,3-benzothiazol-6-ylamino)-4-(1-phenylethylamino)-1H-1,3,5-triazin-2-one
CID 135430575
6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
CID 135433946
4-[1,3-benzothiazol-6-yl(methyl)amino]-6-(2-phenylpropan-2-ylamino)-1H-1,3,5-triazin-2-one;2,2,2-trifluoroacetic acid
CID 135440440
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
N,N-diethyl-1,3-benzothiazol-6-amine
CID 12675901
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107801952
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-1,3-benzothiazol-6-amine
CID 107800195
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one (CID 135509841) is 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one is CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one?
The InChIKey is CUTRRQNUXLUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one?
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one has a molecular weight of 378.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(ethyl)amino]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135509841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).