N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide

C18H22N4O3S — CID 110351972

IUPACN-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2nc(CCNC(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C18H22N4O3S/c1-13(23)20-15-4-2-3-14(11-15)17-21-16(12-26-17)5-6-19-18(24)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,24)(H,20,23)
InChIKeyPUUOXHMYMZCLPF-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide

N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide (PubChem CID 110351972) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
PubChem CID110351972
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2nc(CCNC(=O)N3CCOCC3)cs2)c1
InChIInChI=1S/C18H22N4O3S/c1-13(23)20-15-4-2-3-14(11-15)17-21-16(12-26-17)5-6-19-18(24)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,24)(H,20,23)
InChIKeyPUUOXHMYMZCLPF-UHFFFAOYSA-N
XLogP2.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971
N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162672065
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
N-(3-morpholin-4-ylphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110426324
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
CID 71104862
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide (CID 110351972) is N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide is CC(=O)Nc1cccc(-c2nc(CCNC(=O)N3CCOCC3)cs2)c1.
What is the InChIKey of N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is PUUOXHMYMZCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13(23)20-15-4-2-3-14(11-15)17-21-16(12-26-17)5-6-19-18(24)22-7-9-25-10-8-22/h2-4,11-12H,5-10H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide?
N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 110351972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).