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

C24H27N7O2S — CID 135485631

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N(CCCN2CCOCC2)Cc2ccccc2)nc(Nc2ccc3ncsc3c2)[nH]1
InChIInChI=1S/C24H27N7O2S/c32-24-28-22(26-19-7-8-20-21(15-19)34-17-25-20)27-23(29-24)31(16-18-5-2-1-3-6-18)10-4-9-30-11-13-33-14-12-30/h1-3,5-8,15,17H,4,9-14,16H2,(H2,26,27,28,29,32)
InChIKeyDNEWIMHLUCHYFJ-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.25
Rot. Bonds9

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

6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one (PubChem CID 135485631) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one
PubChem CID135485631
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one
SMILESO=c1nc(N(CCCN2CCOCC2)Cc2ccccc2)nc(Nc2ccc3ncsc3c2)[nH]1
InChIInChI=1S/C24H27N7O2S/c32-24-28-22(26-19-7-8-20-21(15-19)34-17-25-20)27-23(29-24)31(16-18-5-2-1-3-6-18)10-4-9-30-11-13-33-14-12-30/h1-3,5-8,15,17H,4,9-14,16H2,(H2,26,27,28,29,32)
InChIKeyDNEWIMHLUCHYFJ-UHFFFAOYSA-N
XLogP3.25
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one with MolForge

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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-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
CID 135433946
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 44934758
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 29069356
1-[4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 58893300
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
4-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998831
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 44933280
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
CID 60575810
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one (CID 135485631) is 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one is O=c1nc(N(CCCN2CCOCC2)Cc2ccccc2)nc(Nc2ccc3ncsc3c2)[nH]1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one?
The InChIKey is DNEWIMHLUCHYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c32-24-28-22(26-19-7-8-20-21(15-19)34-17-25-20)27-23(29-24)31(16-18-5-2-1-3-6-18)10-4-9-30-11-13-33-14-12-30/h1-3,5-8,15,17H,4,9-14,16H2,(H2,26,27,28,29,32).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one?
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one has a molecular weight of 477.59 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-[benzyl(3-morpholin-4-ylpropyl)amino]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135485631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).