2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

C13H10ClN7O2S — CID 57393798

IUPAC2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12
InChIInChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
InChIKeyZUCVGJVUJSOEMH-YAXRCOADSA-N
MW363.79 g/mol
LogP2.23
Rot. Bonds4

About 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (PubChem CID 57393798) has the molecular formula C13H10ClN7O2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
PubChem CID57393798
Molecular FormulaC13H10ClN7O2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12
InChIInChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+
InChIKeyZUCVGJVUJSOEMH-YAXRCOADSA-N
XLogP2.23
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57397343
2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
CID 168591416
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2,3-dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878467
(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
CID 170877528
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-[4-(hydroxyiminomethyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid
CID 2389083
3,5-dichloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23850418
N-(3-chlorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 18565291

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (CID 57393798) is 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is NC(N)=N/N=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2sc(Cl)cn12.
What is the InChIKey of 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The InChIKey is ZUCVGJVUJSOEMH-YAXRCOADSA-N. The full InChI is InChI=1S/C13H10ClN7O2S/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-2-1-3-8(4-7)21(22)23/h1-6H,(H4,15,16,19)/b17-5+.
What are the key properties of 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine has a molecular weight of 363.79 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 57393798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).