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

C15H12N6O2S — CID 135433946

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NCc2ccco2)nc(Nc2ccc3ncsc3c2)[nH]1
InChIInChI=1S/C15H12N6O2S/c22-15-20-13(16-7-10-2-1-5-23-10)19-14(21-15)18-9-3-4-11-12(6-9)24-8-17-11/h1-6,8H,7H2,(H3,16,18,19,20,21,22)
InChIKeyMOMJSEBGYLJGFT-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.72
Rot. Bonds5

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

6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one (PubChem CID 135433946) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
PubChem CID135433946
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one
SMILESO=c1nc(NCc2ccco2)nc(Nc2ccc3ncsc3c2)[nH]1
InChIInChI=1S/C15H12N6O2S/c22-15-20-13(16-7-10-2-1-5-23-10)19-14(21-15)18-9-3-4-11-12(6-9)24-8-17-11/h1-6,8H,7H2,(H3,16,18,19,20,21,22)
InChIKeyMOMJSEBGYLJGFT-UHFFFAOYSA-N
XLogP2.72
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
CID 135870752
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
4-N-(1,3-benzothiazol-6-yl)-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 23536709
6-(1,3-benzothiazol-6-ylamino)-4-[benzyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-1H-1,3,5-triazin-2-one
CID 135430793
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318898
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2161767
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
5-[(1,3-benzothiazol-6-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 107805894
5-[(1,3-benzothiazol-6-ylamino)methyl]furan-2-carbonitrile
CID 103818814
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779265

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one (CID 135433946) is 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one is O=c1nc(NCc2ccco2)nc(Nc2ccc3ncsc3c2)[nH]1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is MOMJSEBGYLJGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c22-15-20-13(16-7-10-2-1-5-23-10)19-14(21-15)18-9-3-4-11-12(6-9)24-8-17-11/h1-6,8H,7H2,(H3,16,18,19,20,21,22).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one?
6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 340.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-(furan-2-ylmethylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135433946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).