N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C19H19Cl2N3O2S — CID 19768609

IUPACN-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncsc1-c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O2S.ClH/c20-15-5-1-3-13(9-15)11-25-16-6-2-4-14(10-16)18-17(23-12-26-18)19(24)22-8-7-21;/h1-6,9-10,12H,7-8,11,21H2,(H,22,24);1H
InChIKeyXHANKXDGGFSJCB-UHFFFAOYSA-N
MW424.35 g/mol
LogP4.15
Rot. Bonds7

About N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 19768609) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID19768609
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC NameN-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncsc1-c1cccc(OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O2S.ClH/c20-15-5-1-3-13(9-15)11-25-16-6-2-4-14(10-16)18-17(23-12-26-18)19(24)22-8-7-21;/h1-6,9-10,12H,7-8,11,21H2,(H,22,24);1H
InChIKeyXHANKXDGGFSJCB-UHFFFAOYSA-N
XLogP4.15
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 19768642
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
CID 11947976
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623809
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46066941
2-[3-[(3-chlorophenyl)methoxy]phenyl]-1H-imidazole
CID 166632886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 19768609) is N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ncsc1-c1cccc(OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is XHANKXDGGFSJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S.ClH/c20-15-5-1-3-13(9-15)11-25-16-6-2-4-14(10-16)18-17(23-12-26-18)19(24)22-8-7-21;/h1-6,9-10,12H,7-8,11,21H2,(H,22,24);1H.
What are the key properties of N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 424.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 19768609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).