N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide

C23H23N5O4S — CID 16548964

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide
SMILESCOCCCN(C(=O)c1ccc2ncsc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-32-11-5-10-27(22(30)16-8-9-17-18(12-16)33-14-25-17)19-20(24)28(23(31)26-21(19)29)13-15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,10-11,13,24H2,1H3,(H,26,29,31)
InChIKeyVWIDHTLTAPPGQK-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.46
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 16548964) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID16548964
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide
SMILESCOCCCN(C(=O)c1ccc2ncsc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-32-11-5-10-27(22(30)16-8-9-17-18(12-16)33-14-25-17)19-20(24)28(23(31)26-21(19)29)13-15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,10-11,13,24H2,1H3,(H,26,29,31)
InChIKeyVWIDHTLTAPPGQK-UHFFFAOYSA-N
XLogP2.46
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-1,3-benzothiazole-6-carboxamide
CID 16548940
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-3-pyrrol-1-ylbenzamide
CID 25333302
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-5-methylthiophene-2-carboxamide
CID 26119620
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 31493312
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-chloro-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 26119589
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[benzyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 27133730
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2,5-dimethylfuran-3-carboxamide
CID 26119707
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-prop-2-enoxybenzamide
CID 43059470
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 2557629
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-(2-methoxyethyl)benzamide
CID 26120344
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 42970323
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide (CID 16548964) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide is COCCCN(C(=O)c1ccc2ncsc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is VWIDHTLTAPPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-32-11-5-10-27(22(30)16-8-9-17-18(12-16)33-14-25-17)19-20(24)28(23(31)26-21(19)29)13-15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,10-11,13,24H2,1H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16548964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).