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

C18H19N5O2S — CID 59650859

IUPAC2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CC(=O)Nc3ncc[nH]3)cc2)cs1
InChIInChI=1S/C18H19N5O2S/c1-12(24)21-18-22-15(11-26-18)7-6-13-2-4-14(5-3-13)10-16(25)23-17-19-8-9-20-17/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,24)(H2,19,20,23,25)
InChIKeyJVASQHRTOWPYOU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.79
Rot. Bonds7

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

2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide (PubChem CID 59650859) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide
PubChem CID59650859
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CC(=O)Nc3ncc[nH]3)cc2)cs1
InChIInChI=1S/C18H19N5O2S/c1-12(24)21-18-22-15(11-26-18)7-6-13-2-4-14(5-3-13)10-16(25)23-17-19-8-9-20-17/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,24)(H2,19,20,23,25)
InChIKeyJVASQHRTOWPYOU-UHFFFAOYSA-N
XLogP2.79
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-[2-[amino(carbamoyl)amino]ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87182634
N-[4-[2-[4-(2,2,3,4,4-pentamethylpentan-3-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173162018
N-[4-[2-[4-[(2-amino-2-hydrazinylideneethyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173210099
N-[4-[2-[4-(2-hydrazinylideneethylamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87797084
N-[4-[2-[4-[[amino(dimethylamino)methylidene]amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 71525142
N-[4-[2-[4-[2-(aminohydrazinylidene)ethylamino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87985696
O-methyl N-[2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]ethyl]-N-aminocarbamothioate;hydroiodide
CID 87596945
N-[4-[2-[4-[2-(diaminomethylideneamino)ethylamino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 59004582
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 44538377
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
N-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazole-2-carboxamide
CID 22615150
[[2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]ethyl-(2,2-dimethoxyethyl)amino]-(carboxyamino)methyl]carbamic acid
CID 87741931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide (CID 59650859) is 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide is CC(=O)Nc1nc(CCc2ccc(CC(=O)Nc3ncc[nH]3)cc2)cs1.
What is the InChIKey of 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is JVASQHRTOWPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12(24)21-18-22-15(11-26-18)7-6-13-2-4-14(5-3-13)10-16(25)23-17-19-8-9-20-17/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,24)(H2,19,20,23,25).
What are the key properties of 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide?
2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 59650859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).