N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide

C9H14N4O4S — CID 102771025

IUPACN-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H14N4O4S/c1-17-5-4-10-7(14)2-3-11-9-12-6-8(18-9)13(15)16/h6H,2-5H2,1H3,(H,10,14)(H,11,12)
InChIKeyKLSDTIAIPZFERG-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.62
Rot. Bonds8

About N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide

N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 102771025) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID102771025
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC NameN-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H14N4O4S/c1-17-5-4-10-7(14)2-3-11-9-12-6-8(18-9)13(15)16/h6H,2-5H2,1H3,(H,10,14)(H,11,12)
InChIKeyKLSDTIAIPZFERG-UHFFFAOYSA-N
XLogP0.62
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methoxyethoxy)butyl]-5-nitro-1,3-thiazol-2-amine
CID 102771044
tert-butyl N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 102771164
4-methyl-N-[2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 102770508
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 113405769
N',N'-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770364
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
4-methoxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]butanoic acid
CID 102769782
tert-butyl N-[4-[(5-nitro-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 175095293
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
4-ethyl-6-[(5-nitro-1,3-thiazol-2-yl)amino]hexanoic acid
CID 102769844
N-(1-methoxy-2-methylpropan-2-yl)-5-nitro-1,3-thiazol-2-amine
CID 102771057

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide (CID 102771025) is N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide is COCCNC(=O)CCNc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is KLSDTIAIPZFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-17-5-4-10-7(14)2-3-11-9-12-6-8(18-9)13(15)16/h6H,2-5H2,1H3,(H,10,14)(H,11,12).
What are the key properties of N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide?
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 274.30 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 102771025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).