2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

C23H34N4OS — CID 20889684

IUPAC2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CCN(c2nc3ccc(C(=O)NCCCN4CCCCC4C)cc3s2)CC1
InChIInChI=1S/C23H34N4OS/c1-17-9-14-27(15-10-17)23-25-20-8-7-19(16-21(20)29-23)22(28)24-11-5-13-26-12-4-3-6-18(26)2/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,24,28)
InChIKeyYTOUPAWDNRXCSH-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.53
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide

2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 20889684) has the molecular formula C23H34N4OS and a molecular weight of 414.62 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
PubChem CID20889684
Molecular FormulaC23H34N4OS
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CCN(c2nc3ccc(C(=O)NCCCN4CCCCC4C)cc3s2)CC1
InChIInChI=1S/C23H34N4OS/c1-17-9-14-27(15-10-17)23-25-20-8-7-19(16-21(20)29-23)22(28)24-11-5-13-26-12-4-3-6-18(26)2/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,24,28)
InChIKeyYTOUPAWDNRXCSH-UHFFFAOYSA-N
XLogP4.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889620
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074891
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866128
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide (CID 20889684) is 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is CC1CCN(c2nc3ccc(C(=O)NCCCN4CCCCC4C)cc3s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is YTOUPAWDNRXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4OS/c1-17-9-14-27(15-10-17)23-25-20-8-7-19(16-21(20)29-23)22(28)24-11-5-13-26-12-4-3-6-18(26)2/h7-8,16-18H,3-6,9-15H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide?
2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20889684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).