7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C19H22N4O3S — CID 46326282

IUPAC7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)NCCN4CCOCC4)cc(=O)n3c2cc1C
InChIInChI=1S/C19H22N4O3S/c1-12-9-14-15(10-13(12)2)23-17(24)11-16(27-19(23)21-14)18(25)20-3-4-22-5-7-26-8-6-22/h9-11H,3-8H2,1-2H3,(H,20,25)
InChIKeyQDAJTLCMQXAONM-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.59
Rot. Bonds4

About 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326282) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326282
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)NCCN4CCOCC4)cc(=O)n3c2cc1C
InChIInChI=1S/C19H22N4O3S/c1-12-9-14-15(10-13(12)2)23-17(24)11-16(27-19(23)21-14)18(25)20-3-4-22-5-7-26-8-6-22/h9-11H,3-8H2,1-2H3,(H,20,25)
InChIKeyQDAJTLCMQXAONM-UHFFFAOYSA-N
XLogP1.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324584
2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 49014551
7,8-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326315
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
5-cyclopropyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 53191518
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326271
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326282) is 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is Cc1cc2nc3sc(C(=O)NCCN4CCOCC4)cc(=O)n3c2cc1C.
What is the InChIKey of 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is QDAJTLCMQXAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-9-14-15(10-13(12)2)23-17(24)11-16(27-19(23)21-14)18(25)20-3-4-22-5-7-26-8-6-22/h9-11H,3-8H2,1-2H3,(H,20,25).
What are the key properties of 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).