7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C21H26N4O2S — CID 92869945

IUPAC7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)NCCN4CCCC[C@@H]4C)cc(=O)n3c2cc1C
InChIInChI=1S/C21H26N4O2S/c1-13-10-16-17(11-14(13)2)25-19(26)12-18(28-21(25)23-16)20(27)22-7-9-24-8-5-4-6-15(24)3/h10-12,15H,4-9H2,1-3H3,(H,22,27)/t15-/m0/s1
InChIKeyNWAHEGSOFJDSLT-HNNXBMFYSA-N
MW398.53 g/mol
LogP3.13
Rot. Bonds4

About 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 92869945) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID92869945
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESCc1cc2nc3sc(C(=O)NCCN4CCCC[C@@H]4C)cc(=O)n3c2cc1C
InChIInChI=1S/C21H26N4O2S/c1-13-10-16-17(11-14(13)2)25-19(26)12-18(28-21(25)23-16)20(27)22-7-9-24-8-5-4-6-15(24)3/h10-12,15H,4-9H2,1-3H3,(H,22,27)/t15-/m0/s1
InChIKeyNWAHEGSOFJDSLT-HNNXBMFYSA-N
XLogP3.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-dimethyl-N-(2-morpholin-4-ylethyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326282
N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869928
1-(4-fluorophenyl)-3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55723438
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92866129
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
CID 22588120
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 92869945) is 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is Cc1cc2nc3sc(C(=O)NCCN4CCCC[C@@H]4C)cc(=O)n3c2cc1C.
What is the InChIKey of 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is NWAHEGSOFJDSLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-10-16-17(11-14(13)2)25-19(26)12-18(28-21(25)23-16)20(27)22-7-9-24-8-5-4-6-15(24)3/h10-12,15H,4-9H2,1-3H3,(H,22,27)/t15-/m0/s1.
What are the key properties of 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 92869945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).