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

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Related Compounds

(4-Tert-butylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 9551185
2-Methyl-1-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]propan-1-one
CID 40050959
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazol-4-yl)methanone
CID 55144583
(3-Fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697763
(4-((4-Methylthiazol-2-yl)methyl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 29697771
2-(4-Fluorophenyl)-1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 29697812
(2,4-Difluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697846
(4-((4-Cyclopropylthiazol-2-yl)methyl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 30860481
1-(4-((4-Cyclopropylthiazol-2-yl)methyl)piperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 30860489
(3-Methylphenyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 39998559
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 40050999
N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
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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).