N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide

C13H10N4O3S2 — CID 18095387

IUPACN-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O3S2/c1-8(18)14-9-2-4-10(5-3-9)22-11-12(17(19)20)16-6-7-21-13(16)15-11/h2-7H,1H3,(H,14,18)
InChIKeyBURCISPFAFDDOJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide

N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide (PubChem CID 18095387) has the molecular formula C13H10N4O3S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
PubChem CID18095387
Molecular FormulaC13H10N4O3S2
Molecular Weight334.38 g/mol
Exact Mass334.02
IUPAC NameN-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O3S2/c1-8(18)14-9-2-4-10(5-3-9)22-11-12(17(19)20)16-6-7-21-13(16)15-11/h2-7H,1H3,(H,14,18)
InChIKeyBURCISPFAFDDOJ-UHFFFAOYSA-N
XLogP3.41
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.41
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

4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpyridine-2-carboxylic acid
CID 79561861
6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095379
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095457
6-(2-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 18095068
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylpropan-1-ol
CID 115659063
2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylbutanoic acid
CID 105354795
4-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diamine
CID 43471134
6-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-nitroimidazo[2,1-b][1,3]thiazole
CID 71885541
N,N-dimethyl-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]benzamide
CID 18095326

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide (CID 18095387) is N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide?
The InChIKey is BURCISPFAFDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S2/c1-8(18)14-9-2-4-10(5-3-9)22-11-12(17(19)20)16-6-7-21-13(16)15-11/h2-7H,1H3,(H,14,18).
What are the key properties of N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide?
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 18095387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).