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

C18H24N4O2S — CID 47858635

IUPACN-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide
SMILESCCc1nc(CN(C)C(=O)NC(C)c2cccc(NC(C)=O)c2)cs1
InChIInChI=1S/C18H24N4O2S/c1-5-17-21-16(11-25-17)10-22(4)18(24)19-12(2)14-7-6-8-15(9-14)20-13(3)23/h6-9,11-12H,5,10H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyVPIARFNQIIGXSE-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.57
Rot. Bonds6

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

N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide (PubChem CID 47858635) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide
PubChem CID47858635
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide
SMILESCCc1nc(CN(C)C(=O)NC(C)c2cccc(NC(C)=O)c2)cs1
InChIInChI=1S/C18H24N4O2S/c1-5-17-21-16(11-25-17)10-22(4)18(24)19-12(2)14-7-6-8-15(9-14)20-13(3)23/h6-9,11-12H,5,10H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyVPIARFNQIIGXSE-UHFFFAOYSA-N
XLogP3.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987
[3-(3,4-Dimethylanilino)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 24793976
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 154636967
N-[3-(2-Amino-4-thiazolyl)phenyl]acetamide
CID 2215374
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2125060
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2540562
N-Cyclopentylcarbamoylmethyl-N-(3,5-dimethyl-phenyl)-N'-(4-methyl-thiazol-2-yl)-succinamide
CID 3210673
N-[4-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4881525
N1-(2,5-dimethylphenyl)-N2-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)oxalamide
CID 7216690

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide (CID 47858635) is N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide is CCc1nc(CN(C)C(=O)NC(C)c2cccc(NC(C)=O)c2)cs1.
What is the InChIKey of N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide?
The InChIKey is VPIARFNQIIGXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-5-17-21-16(11-25-17)10-22(4)18(24)19-12(2)14-7-6-8-15(9-14)20-13(3)23/h6-9,11-12H,5,10H2,1-4H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 47858635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).