N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide

C18H24N4O2S — CID 110351971

IUPACN-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)NCCc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H24N4O2S/c1-4-22(5-2)18(24)19-10-9-16-12-25-17(21-16)14-7-6-8-15(11-14)20-13(3)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyHKUGXPDGFVECHM-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.36
Rot. Bonds7

About N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide

N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide (PubChem CID 110351971) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
PubChem CID110351971
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)NCCc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H24N4O2S/c1-4-22(5-2)18(24)19-10-9-16-12-25-17(21-16)14-7-6-8-15(11-14)20-13(3)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyHKUGXPDGFVECHM-UHFFFAOYSA-N
XLogP3.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110351972
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110351919
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide (CID 110351971) is N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide is CCN(CC)C(=O)NCCc1csc(-c2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide?
The InChIKey is HKUGXPDGFVECHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-22(5-2)18(24)19-10-9-16-12-25-17(21-16)14-7-6-8-15(11-14)20-13(3)23/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide?
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 110351971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).