N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C14H14N2O4S — CID 95383304

IUPACN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)no1
InChIInChI=1S/C14H14N2O4S/c1-9-8-12(16-20-9)14(17)15-11-6-7-21(18,19)13-5-3-2-4-10(11)13/h2-5,8,11H,6-7H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyFTRWZGSRXZTFET-LLVKDONJSA-N
MW306.34 g/mol
LogP1.63
Rot. Bonds2

About N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95383304) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID95383304
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)no1
InChIInChI=1S/C14H14N2O4S/c1-9-8-12(16-20-9)14(17)15-11-6-7-21(18,19)13-5-3-2-4-10(11)13/h2-5,8,11H,6-7H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyFTRWZGSRXZTFET-LLVKDONJSA-N
XLogP1.63
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide 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

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 51877530
N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3H-benzimidazole-5-carboxamide
CID 47017686
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-[4-(3-methylphenoxy)phenyl]urea
CID 112834767
N-[2-[[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162037
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55451386
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55790820
N-cyclopropyl-3-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]benzamide
CID 167785074
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955857

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 95383304) is N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)no1.
What is the InChIKey of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FTRWZGSRXZTFET-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-8-12(16-20-9)14(17)15-11-6-7-21(18,19)13-5-3-2-4-10(11)13/h2-5,8,11H,6-7H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95383304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).