N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide

C25H29N3OS — CID 139624970

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H29N3OS/c1-19-23(22-10-6-3-7-11-22)27-25(30-19)24(29)26-15-12-20-13-16-28(17-14-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3,(H,26,29)
InChIKeyALOSCKPGIMZTHW-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.15
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 139624970) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID139624970
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H29N3OS/c1-19-23(22-10-6-3-7-11-22)27-25(30-19)24(29)26-15-12-20-13-16-28(17-14-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3,(H,26,29)
InChIKeyALOSCKPGIMZTHW-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpiperidin-4-yl)-1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-one
CID 139624912
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;but-2-enedioic acid
CID 67703873
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474665
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide (CID 139624970) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide is Cc1sc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is ALOSCKPGIMZTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-19-23(22-10-6-3-7-11-22)27-25(30-19)24(29)26-15-12-20-13-16-28(17-14-20)18-21-8-4-2-5-9-21/h2-11,20H,12-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 139624970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).