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

C22H24N4OS — CID 117087880

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H24N4OS/c27-21(24-18-9-5-2-6-10-18)20-15-23-22(28-20)25-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27)
InChIKeyKRFPYMPDCNACMQ-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.47
Rot. Bonds6

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

2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 117087880) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID117087880
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(NC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H24N4OS/c27-21(24-18-9-5-2-6-10-18)20-15-23-22(28-20)25-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27)
InChIKeyKRFPYMPDCNACMQ-UHFFFAOYSA-N
XLogP4.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
CID 117083185
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618429
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133366013
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
2-(4-benzylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11631108
N-(1-benzylpiperidin-4-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648132
2-(tert-butylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122693201

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 117087880) is 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1)c1cnc(NC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KRFPYMPDCNACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-21(24-18-9-5-2-6-10-18)20-15-23-22(28-20)25-19-11-13-26(14-12-19)16-17-7-3-1-4-8-17/h1-10,15,19H,11-14,16H2,(H,23,25)(H,24,27).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117087880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).