N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C15H16N2O3S — CID 108793302

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3=NCCS3)ccc2O1
InChIInChI=1S/C15H16N2O3S/c1-15(2)8-11(18)10-7-9(3-4-12(10)20-15)13(19)17-14-16-5-6-21-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,17,19)
InChIKeyBMBMDRKPPMMIMM-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.26
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793302) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793302
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3=NCCS3)ccc2O1
InChIInChI=1S/C15H16N2O3S/c1-15(2)8-11(18)10-7-9(3-4-12(10)20-15)13(19)17-14-16-5-6-21-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,17,19)
InChIKeyBMBMDRKPPMMIMM-UHFFFAOYSA-N
XLogP2.26
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108793302) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NC3=NCCS3)ccc2O1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is BMBMDRKPPMMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2)8-11(18)10-7-9(3-4-12(10)20-15)13(19)17-14-16-5-6-21-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).