8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide

C18H15N3O5S — CID 90625463

IUPAC8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4c(s3)C(=O)NCCC4)c(=O)oc12
InChIInChI=1S/C18H15N3O5S/c1-25-12-6-2-4-9-8-10(17(24)26-13(9)12)15(22)21-18-20-11-5-3-7-19-16(23)14(11)27-18/h2,4,6,8H,3,5,7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyKCCUTIOYLSFZIA-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.19
Rot. Bonds3

About 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide

8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide (PubChem CID 90625463) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide
PubChem CID90625463
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4c(s3)C(=O)NCCC4)c(=O)oc12
InChIInChI=1S/C18H15N3O5S/c1-25-12-6-2-4-9-8-10(17(24)26-13(9)12)15(22)21-18-20-11-5-3-7-19-16(23)14(11)27-18/h2,4,6,8H,3,5,7H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyKCCUTIOYLSFZIA-UHFFFAOYSA-N
XLogP2.19
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide (CID 90625463) is 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nc4c(s3)C(=O)NCCC4)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide?
The InChIKey is KCCUTIOYLSFZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-25-12-6-2-4-9-8-10(17(24)26-13(9)12)15(22)21-18-20-11-5-3-7-19-16(23)14(11)27-18/h2,4,6,8H,3,5,7H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide?
8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 90625463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).