N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride

C23H26ClN3O2S — CID 67270283

IUPACN-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C1CCN(CCO)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C23H25N3O2S.ClH/c27-15-14-26-12-10-17(11-13-26)19-8-4-5-9-20(19)24-22(28)21-16-29-23(25-21)18-6-2-1-3-7-18;/h1-9,16-17,27H,10-15H2,(H,24,28);1H
InChIKeyXNWKNIIHCHHROE-UHFFFAOYSA-N
MW444.00 g/mol
LogP4.66
Rot. Bonds6

About N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride

N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 67270283) has the molecular formula C23H26ClN3O2S and a molecular weight of 444.00 g/mol. Its IUPAC name is N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID67270283
Molecular FormulaC23H26ClN3O2S
Molecular Weight444.00 g/mol
Exact Mass443.14
IUPAC NameN-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1C1CCN(CCO)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C23H25N3O2S.ClH/c27-15-14-26-12-10-17(11-13-26)19-8-4-5-9-20(19)24-22(28)21-16-29-23(25-21)18-6-2-1-3-7-18;/h1-9,16-17,27H,10-15H2,(H,24,28);1H
InChIKeyXNWKNIIHCHHROE-UHFFFAOYSA-N
XLogP4.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 146078617
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-[1-(5-hydroxypentyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210108
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209312
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 122277905
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride (CID 67270283) is N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1C1CCN(CCO)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XNWKNIIHCHHROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S.ClH/c27-15-14-26-12-10-17(11-13-26)19-8-4-5-9-20(19)24-22(28)21-16-29-23(25-21)18-6-2-1-3-7-18;/h1-9,16-17,27H,10-15H2,(H,24,28);1H.
What are the key properties of N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride?
N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 444.00 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 67270283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).