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

C19H21Cl2N3O2S — CID 24746984

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.Cl
InChIInChI=1S/C19H20ClN3O2S.ClH/c1-22(2)10-4-11-23(18(24)17-5-3-12-25-17)19-21-16(13-26-19)14-6-8-15(20)9-7-14;/h3,5-9,12-13H,4,10-11H2,1-2H3;1H
InChIKeySOYHMFWLHITOAH-UHFFFAOYSA-N
MW426.37 g/mol
LogP5.08
Rot. Bonds7

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride (PubChem CID 24746984) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
PubChem CID24746984
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCN(C)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1.Cl
InChIInChI=1S/C19H20ClN3O2S.ClH/c1-22(2)10-4-11-23(18(24)17-5-3-12-25-17)19-21-16(13-26-19)14-6-8-15(20)9-7-14;/h3,5-9,12-13H,4,10-11H2,1-2H3;1H
InChIKeySOYHMFWLHITOAH-UHFFFAOYSA-N
XLogP5.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride (CID 24746984) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride is CN(C)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-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride?
The InChIKey is SOYHMFWLHITOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S.ClH/c1-22(2)10-4-11-23(18(24)17-5-3-12-25-17)19-21-16(13-26-19)14-6-8-15(20)9-7-14;/h3,5-9,12-13H,4,10-11H2,1-2H3;1H.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride has a molecular weight of 426.37 g/mol, XLogP of 5.08, 7 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-(dimethylamino)propyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 24746984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).