N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C21H21N3O3S2 — CID 60537505

IUPACN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(COc1ccc(CCNC(=O)c2csc(-c3ccsc3)n2)cc1)NC1CC1
InChIInChI=1S/C21H21N3O3S2/c25-19(23-16-3-4-16)11-27-17-5-1-14(2-6-17)7-9-22-20(26)18-13-29-21(24-18)15-8-10-28-12-15/h1-2,5-6,8,10,12-13,16H,3-4,7,9,11H2,(H,22,26)(H,23,25)
InChIKeyZTUWLYSWGMSFPT-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.50
Rot. Bonds9

About N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 60537505) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID60537505
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(COc1ccc(CCNC(=O)c2csc(-c3ccsc3)n2)cc1)NC1CC1
InChIInChI=1S/C21H21N3O3S2/c25-19(23-16-3-4-16)11-27-17-5-1-14(2-6-17)7-9-22-20(26)18-13-29-21(24-18)15-8-10-28-12-15/h1-2,5-6,8,10,12-13,16H,3-4,7,9,11H2,(H,22,26)(H,23,25)
InChIKeyZTUWLYSWGMSFPT-UHFFFAOYSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48579146
N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9085814
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-benzothiophene-3-carboxamide
CID 60537436
2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55893825
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-[2-(cyclohexen-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46628227
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-phenylquinoline-4-carboxamide
CID 52703335
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 60537505) is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(COc1ccc(CCNC(=O)c2csc(-c3ccsc3)n2)cc1)NC1CC1.
What is the InChIKey of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZTUWLYSWGMSFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-19(23-16-3-4-16)11-27-17-5-1-14(2-6-17)7-9-22-20(26)18-13-29-21(24-18)15-8-10-28-12-15/h1-2,5-6,8,10,12-13,16H,3-4,7,9,11H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60537505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).