8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide

C16H10N2O3S2 — CID 20865592

IUPAC8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)Nc4nccs4)sc3c2c1
InChIInChI=1S/C16H10N2O3S2/c1-8-2-3-11-9(6-8)13-10(15(20)21-11)7-12(23-13)14(19)18-16-17-4-5-22-16/h2-7H,1H3,(H,17,18,19)
InChIKeyPFAXBJUBNUHEHY-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.02
Rot. Bonds2

About 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide

8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20865592) has the molecular formula C16H10N2O3S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide
PubChem CID20865592
Molecular FormulaC16H10N2O3S2
Molecular Weight342.40 g/mol
Exact Mass342.01
IUPAC Name8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc2oc(=O)c3cc(C(=O)Nc4nccs4)sc3c2c1
InChIInChI=1S/C16H10N2O3S2/c1-8-2-3-11-9(6-8)13-10(15(20)21-11)7-12(23-13)14(19)18-16-17-4-5-22-16/h2-7H,1H3,(H,17,18,19)
InChIKeyPFAXBJUBNUHEHY-UHFFFAOYSA-N
XLogP4.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide (CID 20865592) is 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide is Cc1ccc2oc(=O)c3cc(C(=O)Nc4nccs4)sc3c2c1.
What is the InChIKey of 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is PFAXBJUBNUHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S2/c1-8-2-3-11-9(6-8)13-10(15(20)21-11)7-12(23-13)14(19)18-16-17-4-5-22-16/h2-7H,1H3,(H,17,18,19).
What are the key properties of 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide?
8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20865592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).