N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

C20H20N4O3S2 — CID 45497639

IUPACN-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O3S2/c25-18(21-15-1-3-17(4-2-15)24-6-8-27-9-7-24)11-16-13-29-20(22-16)23-19(26)14-5-10-28-12-14/h1-5,10,12-13H,6-9,11H2,(H,21,25)(H,22,23,26)
InChIKeyRPWNLMUOFVRPOY-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.47
Rot. Bonds6

About N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 45497639) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID45497639
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O3S2/c25-18(21-15-1-3-17(4-2-15)24-6-8-27-9-7-24)11-16-13-29-20(22-16)23-19(26)14-5-10-28-12-14/h1-5,10,12-13H,6-9,11H2,(H,21,25)(H,22,23,26)
InChIKeyRPWNLMUOFVRPOY-UHFFFAOYSA-N
XLogP3.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354460
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375880
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 45497705
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 45497639) is N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is RPWNLMUOFVRPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-18(21-15-1-3-17(4-2-15)24-6-8-27-9-7-24)11-16-13-29-20(22-16)23-19(26)14-5-10-28-12-14/h1-5,10,12-13H,6-9,11H2,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45497639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).