2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C19H18N2O3S2 — CID 167620710

IUPAC2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESO=C(CS1(=O)=NC(=O)c2sccc21)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H18N2O3S2/c22-16(10-26(24)15-7-8-25-18(15)19(23)21-26)20-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17/h7-9H,1-6,10H2,(H,20,22)
InChIKeyPYCLCVYLDCHMHC-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.34
Rot. Bonds3

About 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 167620710) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID167620710
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESO=C(CS1(=O)=NC(=O)c2sccc21)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H18N2O3S2/c22-16(10-26(24)15-7-8-25-18(15)19(23)21-26)20-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17/h7-9H,1-6,10H2,(H,20,22)
InChIKeyPYCLCVYLDCHMHC-UHFFFAOYSA-N
XLogP3.34
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 167620710) is 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is O=C(CS1(=O)=NC(=O)c2sccc21)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is PYCLCVYLDCHMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-16(10-26(24)15-7-8-25-18(15)19(23)21-26)20-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17/h7-9H,1-6,10H2,(H,20,22).
What are the key properties of 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 167620710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).