8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C14H15N3O3S — CID 166182588

IUPAC8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCOc1ccc2c(c1)OCCN(C(=O)Nc1nccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-19-11-3-2-10-9-17(5-6-20-12(10)8-11)14(18)16-13-15-4-7-21-13/h2-4,7-8H,5-6,9H2,1H3,(H,15,16,18)
InChIKeyPZNJNUZGCJMSSL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.58
Rot. Bonds2

About 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 166182588) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID166182588
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCOc1ccc2c(c1)OCCN(C(=O)Nc1nccs1)C2
InChIInChI=1S/C14H15N3O3S/c1-19-11-3-2-10-9-17(5-6-20-12(10)8-11)14(18)16-13-15-4-7-21-13/h2-4,7-8H,5-6,9H2,1H3,(H,15,16,18)
InChIKeyPZNJNUZGCJMSSL-UHFFFAOYSA-N
XLogP2.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.58
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)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 166182588) is 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is COc1ccc2c(c1)OCCN(C(=O)Nc1nccs1)C2.
What is the InChIKey of 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is PZNJNUZGCJMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-11-3-2-10-9-17(5-6-20-12(10)8-11)14(18)16-13-15-4-7-21-13/h2-4,7-8H,5-6,9H2,1H3,(H,15,16,18).
What are the key properties of 8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
8-methoxy-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.58, 2 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)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 166182588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).