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

C19H25N3OS — CID 46043708

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3OS/c1-2-20-19(23)17-14-24-18(21-17)13-22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,23)
InChIKeyAEBBZFIXZFUUGT-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.35
Rot. Bonds6

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

2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 46043708) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID46043708
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3OS/c1-2-20-19(23)17-14-24-18(21-17)13-22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,23)
InChIKeyAEBBZFIXZFUUGT-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 42851064
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72867403
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
5-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810299
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 46043708) is 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(CN2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is AEBBZFIXZFUUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-20-19(23)17-14-24-18(21-17)13-22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,20,23).
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46043708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).