6-(1,3-benzothiazol-2-ylamino)chromen-2-one

C16H10N2O2S — CID 25023615

IUPAC6-(1,3-benzothiazol-2-ylamino)chromen-2-one
SMILESO=c1ccc2cc(Nc3nc4ccccc4s3)ccc2o1
InChIInChI=1S/C16H10N2O2S/c19-15-8-5-10-9-11(6-7-13(10)20-15)17-16-18-12-3-1-2-4-14(12)21-16/h1-9H,(H,17,18)
InChIKeyWLRRSRSILOFMHW-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.15
Rot. Bonds2

About 6-(1,3-benzothiazol-2-ylamino)chromen-2-one

6-(1,3-benzothiazol-2-ylamino)chromen-2-one (PubChem CID 25023615) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylamino)chromen-2-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylamino)chromen-2-one
PubChem CID25023615
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name6-(1,3-benzothiazol-2-ylamino)chromen-2-one
SMILESO=c1ccc2cc(Nc3nc4ccccc4s3)ccc2o1
InChIInChI=1S/C16H10N2O2S/c19-15-8-5-10-9-11(6-7-13(10)20-15)17-16-18-12-3-1-2-4-14(12)21-16/h1-9H,(H,17,18)
InChIKeyWLRRSRSILOFMHW-UHFFFAOYSA-N
XLogP4.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzothiazol-2-amine
CID 28832815
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
CID 142733952
2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
CID 597901
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
2-chloro-3-[(2-oxochromen-6-yl)amino]naphthalene-1,4-dione
CID 139085823
N-(1,3-benzothiazol-2-yl)-5-tert-butyl-1,3-benzoxazol-2-amine
CID 50879002
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
(2-oxochromen-6-yl)carbamic acid
CID 18427920
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
CID 2705029

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylamino)chromen-2-one?
The IUPAC name of 6-(1,3-benzothiazol-2-ylamino)chromen-2-one (CID 25023615) is 6-(1,3-benzothiazol-2-ylamino)chromen-2-one.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylamino)chromen-2-one?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylamino)chromen-2-one is O=c1ccc2cc(Nc3nc4ccccc4s3)ccc2o1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylamino)chromen-2-one?
The InChIKey is WLRRSRSILOFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-15-8-5-10-9-11(6-7-13(10)20-15)17-16-18-12-3-1-2-4-14(12)21-16/h1-9H,(H,17,18).
What are the key properties of 6-(1,3-benzothiazol-2-ylamino)chromen-2-one?
6-(1,3-benzothiazol-2-ylamino)chromen-2-one has a molecular weight of 294.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylamino)chromen-2-one is sourced from PubChem (CID 25023615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).