6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one

C18H14N4O2S — CID 9024918

IUPAC6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-c3nc4ccccc4s3)o2)c(=O)c1
InChIInChI=1S/C18H14N4O2S/c1-11-8-16(19)22(17(23)9-11)20-10-12-6-7-14(24-12)18-21-13-4-2-3-5-15(13)25-18/h2-10H,19H2,1H3/b20-10-
InChIKeyNUGJAOFATJOYCH-JMIUGGIZSA-N
MW350.40 g/mol
LogP3.49
Rot. Bonds3

About 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 9024918) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
PubChem CID9024918
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-c3nc4ccccc4s3)o2)c(=O)c1
InChIInChI=1S/C18H14N4O2S/c1-11-8-16(19)22(17(23)9-11)20-10-12-6-7-14(24-12)18-21-13-4-2-3-5-15(13)25-18/h2-10H,19H2,1H3/b20-10-
InChIKeyNUGJAOFATJOYCH-JMIUGGIZSA-N
XLogP3.49
TPSA86.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025204
6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
CID 9397818
5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3731912
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2004281
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
CID 9025127
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enoic acid
CID 4961866
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121360
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
2-amino-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 4571773
(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2019480
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-3,4-dimethoxybenzamide
CID 9232631

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one (CID 9024918) is 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(/N=C\c2ccc(-c3nc4ccccc4s3)o2)c(=O)c1.
What is the InChIKey of 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is NUGJAOFATJOYCH-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-8-16(19)22(17(23)9-11)20-10-12-6-7-14(24-12)18-21-13-4-2-3-5-15(13)25-18/h2-10H,19H2,1H3/b20-10-.
What are the key properties of 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 350.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).