8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C14H17N3O2S — CID 23555071

IUPAC8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2cnc(C)s2)CCc2ccoc21
InChIInChI=1S/C14H17N3O2S/c1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18/h4,6-7,12,15H,3,5,8H2,1-2H3
InChIKeyVUXVJYCJXJSLQH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.89
Rot. Bonds3

About 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23555071) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23555071
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(Cc2cnc(C)s2)CCc2ccoc21
InChIInChI=1S/C14H17N3O2S/c1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18/h4,6-7,12,15H,3,5,8H2,1-2H3
InChIKeyVUXVJYCJXJSLQH-UHFFFAOYSA-N
XLogP1.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23555071) is 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(Cc2cnc(C)s2)CCc2ccoc21.
What is the InChIKey of 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is VUXVJYCJXJSLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18/h4,6-7,12,15H,3,5,8H2,1-2H3.
What are the key properties of 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 291.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23555071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).