N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide

C14H14N2O3S2 — CID 110766775

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(c2)CCCS3(=O)=O)n1
InChIInChI=1S/C14H14N2O3S2/c1-9-8-20-14(15-9)16-13(17)11-4-5-12-10(7-11)3-2-6-21(12,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyLHJUTJGXNNYBTG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.42
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide (PubChem CID 110766775) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
PubChem CID110766775
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
SMILESCc1csc(NC(=O)c2ccc3c(c2)CCCS3(=O)=O)n1
InChIInChI=1S/C14H14N2O3S2/c1-9-8-20-14(15-9)16-13(17)11-4-5-12-10(7-11)3-2-6-21(12,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyLHJUTJGXNNYBTG-UHFFFAOYSA-N
XLogP2.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide with MolForge

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693409
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2679162
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide (CID 110766775) is N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide is Cc1csc(NC(=O)c2ccc3c(c2)CCCS3(=O)=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide?
The InChIKey is LHJUTJGXNNYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-8-20-14(15-9)16-13(17)11-4-5-12-10(7-11)3-2-6-21(12,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,15,16,17).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide is sourced from PubChem (CID 110766775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).