3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide

C10H7Cl2N3S — CID 148585686

IUPAC3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide
SMILESN/C(=N\c1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3S/c11-7-8(16-15-9(7)12)10(13)14-6-4-2-1-3-5-6/h1-5H,(H2,13,14)
InChIKeyMZQGUCLLOFSYTP-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.49
Rot. Bonds2

About 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide

3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide (PubChem CID 148585686) has the molecular formula C10H7Cl2N3S and a molecular weight of 272.16 g/mol. Its IUPAC name is 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide.

Molecular Properties

Compound Name3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide
PubChem CID148585686
Molecular FormulaC10H7Cl2N3S
Molecular Weight272.16 g/mol
Exact Mass270.97
IUPAC Name3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide
SMILESN/C(=N\c1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3S/c11-7-8(16-15-9(7)12)10(13)14-6-4-2-1-3-5-6/h1-5H,(H2,13,14)
InChIKeyMZQGUCLLOFSYTP-UHFFFAOYSA-N
XLogP3.49
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide 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-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline
CID 166735111
N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide
CID 71349233

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide?
The IUPAC name of 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide (CID 148585686) is 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide.
What is the SMILES notation for 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide?
The canonical SMILES for 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide is N/C(=N\c1ccccc1)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide?
The InChIKey is MZQGUCLLOFSYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3S/c11-7-8(16-15-9(7)12)10(13)14-6-4-2-1-3-5-6/h1-5H,(H2,13,14).
What are the key properties of 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide?
3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide has a molecular weight of 272.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide is sourced from PubChem (CID 148585686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).