2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C20H23ClN4O2S — CID 18319720

IUPAC2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc(C(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H22N4O2S.ClH/c21-20-24-17(13-27-20)19(26)23-16-8-6-14(7-9-16)10-11-22-12-18(25)15-4-2-1-3-5-15;/h1-9,13,18,22,25H,10-12H2,(H2,21,24)(H,23,26);1H
InChIKeyHZVNTAYVFIFJHV-UHFFFAOYSA-N
MW418.95 g/mol
LogP3.27
Rot. Bonds8

About 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 18319720) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID18319720
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc(C(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H22N4O2S.ClH/c21-20-24-17(13-27-20)19(26)23-16-8-6-14(7-9-16)10-11-22-12-18(25)15-4-2-1-3-5-15;/h1-9,13,18,22,25H,10-12H2,(H2,21,24)(H,23,26);1H
InChIKeyHZVNTAYVFIFJHV-UHFFFAOYSA-N
XLogP3.27
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;ethane
CID 144990968
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-methylpropanamide
CID 18319742
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 125418925
4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
CID 139886411
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319828
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
2-(2-acetamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319845
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-oxoacetamide
CID 172970328
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123534088

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 18319720) is 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.Nc1nc(C(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HZVNTAYVFIFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S.ClH/c21-20-24-17(13-27-20)19(26)23-16-8-6-14(7-9-16)10-11-22-12-18(25)15-4-2-1-3-5-15;/h1-9,13,18,22,25H,10-12H2,(H2,21,24)(H,23,26);1H.
What are the key properties of 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 3.27, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 18319720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).