8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

C17H18N2O3S — CID 12869161

IUPAC8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1nc(-c2coc3c(CN(C)C)c(O)c(C)cc3c2=O)cs1
InChIInChI=1S/C17H18N2O3S/c1-9-5-11-16(21)13(14-8-23-10(2)18-14)7-22-17(11)12(15(9)20)6-19(3)4/h5,7-8,20H,6H2,1-4H3
InChIKeyJJMYJHRFOGDCHS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.30
Rot. Bonds3

About 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one

8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (PubChem CID 12869161) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
PubChem CID12869161
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
SMILESCc1nc(-c2coc3c(CN(C)C)c(O)c(C)cc3c2=O)cs1
InChIInChI=1S/C17H18N2O3S/c1-9-5-11-16(21)13(14-8-23-10(2)18-14)7-22-17(11)12(15(9)20)6-19(3)4/h5,7-8,20H,6H2,1-4H3
InChIKeyJJMYJHRFOGDCHS-UHFFFAOYSA-N
XLogP3.30
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5408024
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724
methyl [6-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] carbonate
CID 23736537
5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 5403337
6-[(dimethylamino)methyl]-7-hydroxy-8-methyl-3-(1,2-oxazol-3-yl)chromen-4-one;hydrochloride
CID 44667761
8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 3757734
ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxypropanoate
CID 3637326
8-(diethylaminomethyl)-6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)chromen-4-one
CID 1130511
8-[(benzylamino)methyl]-7-hydroxy-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 134159715
2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetyl]amino]pentanoic acid
CID 3763110
3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
CID 29147891
6-ethyl-7-hydroxy-8-[[(2R)-2-methylpiperidin-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 7372684

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one (CID 12869161) is 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is Cc1nc(-c2coc3c(CN(C)C)c(O)c(C)cc3c2=O)cs1.
What is the InChIKey of 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
The InChIKey is JJMYJHRFOGDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-9-5-11-16(21)13(14-8-23-10(2)18-14)7-22-17(11)12(15(9)20)6-19(3)4/h5,7-8,20H,6H2,1-4H3.
What are the key properties of 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one?
8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one has a molecular weight of 330.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-7-hydroxy-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one is sourced from PubChem (CID 12869161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).