N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide

C25H36N4OS — CID 56710091

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C25H36N4OS/c1-19-24(31-18-26-19)25(30)29(12-6-11-27(2)3)17-20-9-13-28(14-10-20)23-15-21-7-4-5-8-22(21)16-23/h4-5,7-8,18,20,23H,6,9-17H2,1-3H3
InChIKeyYSTQXDUGKVNIIP-UHFFFAOYSA-N
MW440.66 g/mol
LogP3.72
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56710091) has the molecular formula C25H36N4OS and a molecular weight of 440.66 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56710091
Molecular FormulaC25H36N4OS
Molecular Weight440.66 g/mol
Exact Mass440.26
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C25H36N4OS/c1-19-24(31-18-26-19)25(30)29(12-6-11-27(2)3)17-20-9-13-28(14-10-20)23-15-21-7-4-5-8-22(21)16-23/h4-5,7-8,18,20,23H,6,9-17H2,1-3H3
InChIKeyYSTQXDUGKVNIIP-UHFFFAOYSA-N
XLogP3.72
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
CID 25450938
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
CID 25453562
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
CID 26330980
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25379592
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304
N,4-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42595998
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 56710091) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YSTQXDUGKVNIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4OS/c1-19-24(31-18-26-19)25(30)29(12-6-11-27(2)3)17-20-9-13-28(14-10-20)23-15-21-7-4-5-8-22(21)16-23/h4-5,7-8,18,20,23H,6,9-17H2,1-3H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 440.66 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56710091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).