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

C9H11N5O3S — CID 43388438

IUPACN,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O3S/c1-12(2)6(15)5-10-7-8(14(16)17)13-3-4-18-9(13)11-7/h3-4,10H,5H2,1-2H3
InChIKeyPROKQSUJVJFPCX-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.80
Rot. Bonds4

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

N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide (PubChem CID 43388438) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
PubChem CID43388438
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC NameN,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O3S/c1-12(2)6(15)5-10-7-8(14(16)17)13-3-4-18-9(13)11-7/h3-4,10H,5H2,1-2H3
InChIKeyPROKQSUJVJFPCX-UHFFFAOYSA-N
XLogP0.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N'-cyclopropyl-N'-methyl-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 47981993
N-(3-methylsulfonylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 47292439
N-(3-methylsulfanylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 63965950
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
CID 18095326
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
methyl 4-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]benzoate
CID 17424151
2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-pyridin-2-ylacetamide
CID 133367582
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide (CID 43388438) is N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide is CN(C)C(=O)CNc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
The InChIKey is PROKQSUJVJFPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-12(2)6(15)5-10-7-8(14(16)17)13-3-4-18-9(13)11-7/h3-4,10H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide?
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide has a molecular weight of 269.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide is sourced from PubChem (CID 43388438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).