8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide

C14H12N2O3S — CID 1478778

IUPAC8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1nccs1)=C2
InChIInChI=1S/C14H12N2O3S/c1-18-11-4-2-3-9-7-10(8-19-12(9)11)13(17)16-14-15-5-6-20-14/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyOZNUADHBPPDVII-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.57
Rot. Bonds3

About 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide

8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide (PubChem CID 1478778) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
PubChem CID1478778
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)Nc1nccs1)=C2
InChIInChI=1S/C14H12N2O3S/c1-18-11-4-2-3-9-7-10(8-19-12(9)11)13(17)16-14-15-5-6-20-14/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyOZNUADHBPPDVII-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide (CID 1478778) is 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1nccs1)=C2.
What is the InChIKey of 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
The InChIKey is OZNUADHBPPDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-11-4-2-3-9-7-10(8-19-12(9)11)13(17)16-14-15-5-6-20-14/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide?
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 1478778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).