N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide

C15H16N2OS2 — CID 71995052

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1SCCc2ccccc21
InChIInChI=1S/C15H16N2OS2/c1-17(8-12-9-19-10-16-12)15(18)14-13-5-3-2-4-11(13)6-7-20-14/h2-5,9-10,14H,6-8H2,1H3
InChIKeyUZVJDESRDCYPRB-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.13
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide

N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide (PubChem CID 71995052) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
PubChem CID71995052
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1SCCc2ccccc21
InChIInChI=1S/C15H16N2OS2/c1-17(8-12-9-19-10-16-12)15(18)14-13-5-3-2-4-11(13)6-7-20-14/h2-5,9-10,14H,6-8H2,1H3
InChIKeyUZVJDESRDCYPRB-UHFFFAOYSA-N
XLogP3.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-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-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide (CID 71995052) is N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide is CN(Cc1cscn1)C(=O)C1SCCc2ccccc21.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
The InChIKey is UZVJDESRDCYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-17(8-12-9-19-10-16-12)15(18)14-13-5-3-2-4-11(13)6-7-20-14/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide is sourced from PubChem (CID 71995052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).