2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

C17H20N2O2S — CID 56792077

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CN(C)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-12-16(22-11-18-12)10-19(2)17(20)9-13-7-8-21-15-6-4-3-5-14(13)15/h3-6,11,13H,7-10H2,1-2H3
InChIKeyWDQLLSJCUGVQDL-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.37
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 56792077) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID56792077
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1ncsc1CN(C)C(=O)CC1CCOc2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-12-16(22-11-18-12)10-19(2)17(20)9-13-7-8-21-15-6-4-3-5-14(13)15/h3-6,11,13H,7-10H2,1-2H3
InChIKeyWDQLLSJCUGVQDL-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide 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 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 56792077) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1ncsc1CN(C)C(=O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is WDQLLSJCUGVQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-16(22-11-18-12)10-19(2)17(20)9-13-7-8-21-15-6-4-3-5-14(13)15/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 56792077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).