6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide

C12H8ClNO2S — CID 86299365

IUPAC6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1cccc(Cl)c1OC2
InChIInChI=1S/C12H8ClNO2S/c13-8-3-1-2-7-10(8)16-5-6-4-9(12(14)15)17-11(6)7/h1-4H,5H2,(H2,14,15)
InChIKeyFMJRIXSSALZKCK-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.06
Rot. Bonds1

About 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide

6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 86299365) has the molecular formula C12H8ClNO2S and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID86299365
Molecular FormulaC12H8ClNO2S
Molecular Weight265.72 g/mol
Exact Mass265.00
IUPAC Name6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1cccc(Cl)c1OC2
InChIInChI=1S/C12H8ClNO2S/c13-8-3-1-2-7-10(8)16-5-6-4-9(12(14)15)17-11(6)7/h1-4H,5H2,(H2,14,15)
InChIKeyFMJRIXSSALZKCK-UHFFFAOYSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide (CID 86299365) is 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide is NC(=O)c1cc2c(s1)-c1cccc(Cl)c1OC2.
What is the InChIKey of 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is FMJRIXSSALZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2S/c13-8-3-1-2-7-10(8)16-5-6-4-9(12(14)15)17-11(6)7/h1-4H,5H2,(H2,14,15).
What are the key properties of 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide?
6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 265.72 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 86299365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).