2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide

C16H17N5O4S — CID 51245916

IUPAC2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H17N5O4S/c1-3-19(10-13(22)17-11-6-4-5-7-12(11)25-2)14-15(21(23)24)20-8-9-26-16(20)18-14/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyBHHLAAGSZNGLDK-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.78
Rot. Bonds7

About 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide

2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 51245916) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID51245916
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H17N5O4S/c1-3-19(10-13(22)17-11-6-4-5-7-12(11)25-2)14-15(21(23)24)20-8-9-26-16(20)18-14/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyBHHLAAGSZNGLDK-UHFFFAOYSA-N
XLogP2.78
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125
2-[ethyl-(2-thiophen-2-ylquinazolin-4-yl)amino]-N-(2-methoxyphenyl)acetamide
CID 17447593
2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
CID 55346842
2-(N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346767
5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 107203480
2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346728
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 38797169
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55346821
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide (CID 51245916) is 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is BHHLAAGSZNGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-3-19(10-13(22)17-11-6-4-5-7-12(11)25-2)14-15(21(23)24)20-8-9-26-16(20)18-14/h4-9H,3,10H2,1-2H3,(H,17,22).
What are the key properties of 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 51245916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).