6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C19H23N3O3S — CID 131690446

IUPAC6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCOCc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)19(24)17-20-15-8-10-22(11-9-16(15)26-17)18(23)14-6-4-13(5-7-14)12-25-3/h4-7H,8-12H2,1-3H3
InChIKeyCAOYLUHCGWPFCP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.23
Rot. Bonds4

About 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 131690446) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
PubChem CID131690446
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESCOCc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)19(24)17-20-15-8-10-22(11-9-16(15)26-17)18(23)14-6-4-13(5-7-14)12-25-3/h4-7H,8-12H2,1-3H3
InChIKeyCAOYLUHCGWPFCP-UHFFFAOYSA-N
XLogP2.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide with MolForge

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Related Compounds

6-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97361501
N,N-diethyl-6-(4-methoxybenzoyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442566
N,N-dimethyl-6-(2-methyl-1,3-thiazole-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690468
N,N-dimethyl-6-(5-methyl-1,2-oxazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97410610
N,N-dimethyl-6-(1-methyl-1,2,4-triazole-3-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;oxalic acid
CID 155870390
6-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442553
6-[2-(1-methoxycyclobutyl)acetyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 131690245
N-benzyl-6-(2-methoxyacetyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155876423
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
N-(2-methylpropyl)-6-(pyridine-4-carbonyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849745
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The IUPAC name of 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 131690446) is 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.
What is the SMILES notation for 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The canonical SMILES for 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is COCc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1.
What is the InChIKey of 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The InChIKey is CAOYLUHCGWPFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21(2)19(24)17-20-15-8-10-22(11-9-16(15)26-17)18(23)14-6-4-13(5-7-14)12-25-3/h4-7H,8-12H2,1-3H3.
What are the key properties of 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)benzoyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 131690446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).