N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide

C23H25N3OS — CID 56853456

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2scnc2c1)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C23H25N3OS/c1-25(23(27)18-8-9-22-21(13-18)24-15-28-22)19-7-4-10-26(14-19)20-11-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,13,15,19-20H,4,7,10-12,14H2,1H3
InChIKeyZZQWBPSMBZJVCH-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide (PubChem CID 56853456) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
PubChem CID56853456
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
SMILESCN(C(=O)c1ccc2scnc2c1)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C23H25N3OS/c1-25(23(27)18-8-9-22-21(13-18)24-15-28-22)19-7-4-10-26(14-19)20-11-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,13,15,19-20H,4,7,10-12,14H2,1H3
InChIKeyZZQWBPSMBZJVCH-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
CID 26326531
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
CID 42509695
N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
CID 95715305
N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 95874159
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 45200689

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide (CID 56853456) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide is CN(C(=O)c1ccc2scnc2c1)C1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
The InChIKey is ZZQWBPSMBZJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-25(23(27)18-8-9-22-21(13-18)24-15-28-22)19-7-4-10-26(14-19)20-11-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,13,15,19-20H,4,7,10-12,14H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 56853456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).