N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride

C22H26ClN3O3S — CID 6603084

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1.Cl
InChIInChI=1S/C22H25N3O3S.ClH/c1-17-5-7-18(8-6-17)19-16-29-22(23-19)25(21(26)20-4-2-13-28-20)10-3-9-24-11-14-27-15-12-24;/h2,4-8,13,16H,3,9-12,14-15H2,1H3;1H
InChIKeyRSCGHUUJNVYGBX-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.50
Rot. Bonds7

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride (PubChem CID 6603084) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
PubChem CID6603084
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1.Cl
InChIInChI=1S/C22H25N3O3S.ClH/c1-17-5-7-18(8-6-17)19-16-29-22(23-19)25(21(26)20-4-2-13-28-20)10-3-9-24-11-14-27-15-12-24;/h2,4-8,13,16H,3,9-12,14-15H2,1H3;1H
InChIKeyRSCGHUUJNVYGBX-UHFFFAOYSA-N
XLogP4.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11524975
2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175856
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 142893095
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1172776
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propylfuran-2-carboxamide
CID 22433175
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583463
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899786
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583075
4-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998831
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride (CID 6603084) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride is Cc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1.Cl.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
The InChIKey is RSCGHUUJNVYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S.ClH/c1-17-5-7-18(8-6-17)19-16-29-22(23-19)25(21(26)20-4-2-13-28-20)10-3-9-24-11-14-27-15-12-24;/h2,4-8,13,16H,3,9-12,14-15H2,1H3;1H.
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride has a molecular weight of 447.99 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 6603084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).