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

C23H28N4OS — CID 117084306

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1
InChIInChI=1S/C23H28N4OS/c1-2-12-24-22(28)18-8-9-20-21(15-18)29-23(26-20)25-19-10-13-27(14-11-19)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,24,28)(H,25,26)
InChIKeyHSAMINCUDZQNQN-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.51
Rot. Bonds7

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

2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide (PubChem CID 117084306) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
PubChem CID117084306
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1
InChIInChI=1S/C23H28N4OS/c1-2-12-24-22(28)18-8-9-20-21(15-18)29-23(26-20)25-19-10-13-27(14-11-19)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,24,28)(H,25,26)
InChIKeyHSAMINCUDZQNQN-UHFFFAOYSA-N
XLogP4.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
N-benzyl-2-[(4-hydroxycyclohexyl)amino]-1,3-benzothiazole-6-carboxamide
CID 117091557
N-(1-benzylpiperidin-4-yl)-2-(pyrimidin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117083358
ethyl 2-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 86612185
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-benzothiazole-6-carboxamide
CID 117092147
N-(1-benzylpyrrolidin-3-yl)-6-nitro-1,3-benzothiazol-2-amine
CID 56575552
N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087073
N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
methyl 2-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 138048072
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide (CID 117084306) is 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide is CCCNC(=O)c1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HSAMINCUDZQNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-2-12-24-22(28)18-8-9-20-21(15-18)29-23(26-20)25-19-10-13-27(14-11-19)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-propyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117084306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).