2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide

C13H11N5O3S — CID 10041509

IUPAC2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
SMILESNNC(=O)Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C13H11N5O3S/c14-16-12(19)5-10-7-22-13-15-11(6-17(10)13)8-2-1-3-9(4-8)18(20)21/h1-4,6-7H,5,14H2,(H,16,19)
InChIKeyIATCLJQUHOSTOK-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.50
Rot. Bonds4

About 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide

2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide (PubChem CID 10041509) has the molecular formula C13H11N5O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
PubChem CID10041509
Molecular FormulaC13H11N5O3S
Molecular Weight317.33 g/mol
Exact Mass317.06
IUPAC Name2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
SMILESNNC(=O)Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C13H11N5O3S/c14-16-12(19)5-10-7-22-13-15-11(6-17(10)13)8-2-1-3-9(4-8)18(20)21/h1-4,6-7H,5,14H2,(H,16,19)
InChIKeyIATCLJQUHOSTOK-UHFFFAOYSA-N
XLogP1.50
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-5-nitrophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038785
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide
CID 121038487
N-(5-cyano-2-methyl-4-nitrophenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 154758998
N-benzyl-2-[6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53036901
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044670
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509577
N-(2-methoxy-5-methylphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509596
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080141
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509385
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide?
The IUPAC name of 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide (CID 10041509) is 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide?
The canonical SMILES for 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide is NNC(=O)Cc1csc2nc(-c3cccc([N+](=O)[O-])c3)cn12.
What is the InChIKey of 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide?
The InChIKey is IATCLJQUHOSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S/c14-16-12(19)5-10-7-22-13-15-11(6-17(10)13)8-2-1-3-9(4-8)18(20)21/h1-4,6-7H,5,14H2,(H,16,19).
What are the key properties of 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide?
2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide has a molecular weight of 317.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide is sourced from PubChem (CID 10041509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).