N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

C15H19N5O3S2 — CID 155497198

IUPACN-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCN1CC(NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O
InChIInChI=1S/C15H19N5O3S2/c1-19-8-10(14-12(3-7-24-14)25(19,22)23)18-15(21)11-9-20-6-5-16-4-2-13(20)17-11/h3,7,9-10,16H,2,4-6,8H2,1H3,(H,18,21)
InChIKeyILRHKEOJVGXBMD-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.20
Rot. Bonds2

About N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide

N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155497198) has the molecular formula C15H19N5O3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155497198
Molecular FormulaC15H19N5O3S2
Molecular Weight381.48 g/mol
Exact Mass381.09
IUPAC NameN-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCN1CC(NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O
InChIInChI=1S/C15H19N5O3S2/c1-19-8-10(14-12(3-7-24-14)25(19,22)23)18-15(21)11-9-20-6-5-16-4-2-13(20)17-11/h3,7,9-10,16H,2,4-6,8H2,1H3,(H,18,21)
InChIKeyILRHKEOJVGXBMD-UHFFFAOYSA-N
XLogP0.20
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155497198) is N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is CN1CC(NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O.
What is the InChIKey of N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is ILRHKEOJVGXBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S2/c1-19-8-10(14-12(3-7-24-14)25(19,22)23)18-15(21)11-9-20-6-5-16-4-2-13(20)17-11/h3,7,9-10,16H,2,4-6,8H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide?
N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155497198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).