N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

C21H24N4O4S — CID 126463622

IUPACN-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NC(C)c1ccco1)CCN(Cc1nccs1)CC2
InChIInChI=1S/C21H24N4O4S/c1-14(16-4-3-10-29-16)23-21(27)20-15-5-7-24(13-18-22-6-11-30-18)8-9-25(15)19(26)12-17(20)28-2/h3-4,6,10-12,14H,5,7-9,13H2,1-2H3,(H,23,27)
InChIKeyGJIDRFZLIIJSKB-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide

N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (PubChem CID 126463622) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
PubChem CID126463622
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)NC(C)c1ccco1)CCN(Cc1nccs1)CC2
InChIInChI=1S/C21H24N4O4S/c1-14(16-4-3-10-29-16)23-21(27)20-15-5-7-24(13-18-22-6-11-30-18)8-9-25(15)19(26)12-17(20)28-2/h3-4,6,10-12,14H,5,7-9,13H2,1-2H3,(H,23,27)
InChIKeyGJIDRFZLIIJSKB-UHFFFAOYSA-N
XLogP2.46
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide (CID 126463622) is N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is COc1cc(=O)n2c(c1C(=O)NC(C)c1ccco1)CCN(Cc1nccs1)CC2.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
The InChIKey is GJIDRFZLIIJSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14(16-4-3-10-29-16)23-21(27)20-15-5-7-24(13-18-22-6-11-30-18)8-9-25(15)19(26)12-17(20)28-2/h3-4,6,10-12,14H,5,7-9,13H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide?
N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-9-methoxy-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide is sourced from PubChem (CID 126463622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).