N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride

C21H25Cl2N3O2S — CID 24747033

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.Cl
InChIInChI=1S/C21H24ClN3O2S.ClH/c1-3-24(4-2)12-6-13-25(20(26)19-7-5-14-27-19)21-23-18(15-28-21)16-8-10-17(22)11-9-16;/h5,7-11,14-15H,3-4,6,12-13H2,1-2H3;1H
InChIKeyGVESMTVVFACQAX-UHFFFAOYSA-N
MW454.42 g/mol
LogP5.86
Rot. Bonds9

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride (PubChem CID 24747033) has the molecular formula C21H25Cl2N3O2S and a molecular weight of 454.42 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride
PubChem CID24747033
Molecular FormulaC21H25Cl2N3O2S
Molecular Weight454.42 g/mol
Exact Mass453.10
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.Cl
InChIInChI=1S/C21H24ClN3O2S.ClH/c1-3-24(4-2)12-6-13-25(20(26)19-7-5-14-27-19)21-23-18(15-28-21)16-8-10-17(22)11-9-16;/h5,7-11,14-15H,3-4,6,12-13H2,1-2H3;1H
InChIKeyGVESMTVVFACQAX-UHFFFAOYSA-N
XLogP5.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
Furan-2-carboxylic acid [4-(4-chloro-phenyl)-thiazol-2-yl]-methyl-amide
CID 1175973
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
Furan-2-carboxylic acid (4-phenyl-thiazol-2-yl)-(tetrahydro-furan-2-ylmethyl)-amide
CID 647248
Furan-2-carboxylic acid {4-[(4-chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-ethyl-amide
CID 648157
Furan-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-(4-p-tolyl-thiazol-2-yl)-amide
CID 648656
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
Furan-2-carboxylic acid [4-(2,5-dimethoxy-phenyl)-thiazol-2-yl]-(3-methoxy-propyl)-amide
CID 654679
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738234

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride (CID 24747033) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride is CCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.Cl.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride?
The InChIKey is GVESMTVVFACQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S.ClH/c1-3-24(4-2)12-6-13-25(20(26)19-7-5-14-27-19)21-23-18(15-28-21)16-8-10-17(22)11-9-16;/h5,7-11,14-15H,3-4,6,12-13H2,1-2H3;1H.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride has a molecular weight of 454.42 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(diethylamino)propyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 24747033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).