2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide

C21H30N4O2S — CID 20889662

IUPAC2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC1CCN(c2nc3ccc(C(=O)NCCCN4CCOCC4)cc3s2)CC1
InChIInChI=1S/C21H30N4O2S/c1-16-5-9-25(10-6-16)21-23-18-4-3-17(15-19(18)28-21)20(26)22-7-2-8-24-11-13-27-14-12-24/h3-4,15-16H,2,5-14H2,1H3,(H,22,26)
InChIKeyZCRKWWDNSXUVPF-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide

2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 20889662) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID20889662
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC1CCN(c2nc3ccc(C(=O)NCCCN4CCOCC4)cc3s2)CC1
InChIInChI=1S/C21H30N4O2S/c1-16-5-9-25(10-6-16)21-23-18-4-3-17(15-19(18)28-21)20(26)22-7-2-8-24-11-13-27-14-12-24/h3-4,15-16H,2,5-14H2,1H3,(H,22,26)
InChIKeyZCRKWWDNSXUVPF-UHFFFAOYSA-N
XLogP2.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.98
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

2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 20889684
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889620
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889779
2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 60636910
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide (CID 20889662) is 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide is CC1CCN(c2nc3ccc(C(=O)NCCCN4CCOCC4)cc3s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZCRKWWDNSXUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-16-5-9-25(10-6-16)21-23-18-4-3-17(15-19(18)28-21)20(26)22-7-2-8-24-11-13-27-14-12-24/h3-4,15-16H,2,5-14H2,1H3,(H,22,26).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide?
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20889662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).