N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C20H24N4O2S — CID 92869928

IUPACN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)C1
InChIInChI=1S/C20H24N4O2S/c1-14-6-4-10-23(13-14)11-5-9-21-19(26)17-12-18(25)24-16-8-3-2-7-15(16)22-20(24)27-17/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZRNLICKXNFSHQK-CQSZACIVSA-N
MW384.51 g/mol
LogP2.76
Rot. Bonds5

About N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 92869928) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID92869928
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)C1
InChIInChI=1S/C20H24N4O2S/c1-14-6-4-10-23(13-14)11-5-9-21-19(26)17-12-18(25)24-16-8-3-2-7-15(16)22-20(24)27-17/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZRNLICKXNFSHQK-CQSZACIVSA-N
XLogP2.76
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92869686
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-(3-methylpiperidin-1-yl)propyl]furo[3,2-b]quinoxaline-3-carboxamide
CID 3239334
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326188
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869945
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 92869928) is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is C[C@@H]1CCCN(CCCNC(=O)c2cc(=O)n3c(nc4ccccc43)s2)C1.
What is the InChIKey of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is ZRNLICKXNFSHQK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-6-4-10-23(13-14)11-5-9-21-19(26)17-12-18(25)24-16-8-3-2-7-15(16)22-20(24)27-17/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,21,26)/t14-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 92869928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).