6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one

C13H9ClN2O2S — CID 168583307

IUPAC6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
SMILESO=c1ccoc2ccc(NCc3cnc(Cl)s3)cc12
InChIInChI=1S/C13H9ClN2O2S/c14-13-16-7-9(19-13)6-15-8-1-2-12-10(5-8)11(17)3-4-18-12/h1-5,7,15H,6H2
InChIKeyCTHGIZZWSUEIHQ-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.52
Rot. Bonds3

About 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one

6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one (PubChem CID 168583307) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one.

Molecular Properties

Compound Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
PubChem CID168583307
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one
SMILESO=c1ccoc2ccc(NCc3cnc(Cl)s3)cc12
InChIInChI=1S/C13H9ClN2O2S/c14-13-16-7-9(19-13)6-15-8-1-2-12-10(5-8)11(17)3-4-18-12/h1-5,7,15H,6H2
InChIKeyCTHGIZZWSUEIHQ-UHFFFAOYSA-N
XLogP3.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
CID 168583171
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821
6-(2,3-dihydroxypropylamino)chromen-4-one
CID 168596544
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 168579634
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
CID 168581212
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one?
The IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one (CID 168583307) is 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one.
What is the SMILES notation for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one?
The canonical SMILES for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one is O=c1ccoc2ccc(NCc3cnc(Cl)s3)cc12.
What is the InChIKey of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one?
The InChIKey is CTHGIZZWSUEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-13-16-7-9(19-13)6-15-8-1-2-12-10(5-8)11(17)3-4-18-12/h1-5,7,15H,6H2.
What are the key properties of 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one?
6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one has a molecular weight of 292.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-1,3-thiazol-5-yl)methylamino]chromen-4-one is sourced from PubChem (CID 168583307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).