N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C18H23N3OS — CID 56783188

IUPACN-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(CCc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N3OS/c1-21-11-9-15(10-12-21)19-18(22)16-13-23-17(20-16)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,22)
InChIKeyQFGFHZFGBGIYIL-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.75
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 56783188) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID56783188
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(CCc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N3OS/c1-21-11-9-15(10-12-21)19-18(22)16-13-23-17(20-16)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,22)
InChIKeyQFGFHZFGBGIYIL-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 56783188) is N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is CN1CCC(NC(=O)c2csc(CCc3ccccc3)n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QFGFHZFGBGIYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-21-11-9-15(10-12-21)19-18(22)16-13-23-17(20-16)8-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,22).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56783188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).