N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C18H16N2O2S2 — CID 18115290

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC1CCOc2ccccc21
InChIInChI=1S/C18H16N2O2S2/c21-17(10-12-11-24-18(19-12)16-6-3-9-23-16)20-14-7-8-22-15-5-2-1-4-13(14)15/h1-6,9,11,14H,7-8,10H2,(H,20,21)
InChIKeyGAJGVDPVXVPXLC-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.05
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 18115290) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID18115290
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NC1CCOc2ccccc21
InChIInChI=1S/C18H16N2O2S2/c21-17(10-12-11-24-18(19-12)16-6-3-9-23-16)20-14-7-8-22-15-5-2-1-4-13(14)15/h1-6,9,11,14H,7-8,10H2,(H,20,21)
InChIKeyGAJGVDPVXVPXLC-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 18115290) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GAJGVDPVXVPXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-17(10-12-11-24-18(19-12)16-6-3-9-23-16)20-14-7-8-22-15-5-2-1-4-13(14)15/h1-6,9,11,14H,7-8,10H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18115290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).