N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide

C11H10ClN3S — CID 71349233

IUPACN'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide
SMILESCc1cc(/C(N)=N/c2ccc(Cl)cc2)sn1
InChIInChI=1S/C11H10ClN3S/c1-7-6-10(16-15-7)11(13)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14)
InChIKeyOUSUWFXHNNTAGE-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.14
Rot. Bonds2

About N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide

N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide (PubChem CID 71349233) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide
PubChem CID71349233
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC NameN'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide
SMILESCc1cc(/C(N)=N/c2ccc(Cl)cc2)sn1
InChIInChI=1S/C11H10ClN3S/c1-7-6-10(16-15-7)11(13)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14)
InChIKeyOUSUWFXHNNTAGE-UHFFFAOYSA-N
XLogP3.14
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide (CID 71349233) is N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide is Cc1cc(/C(N)=N/c2ccc(Cl)cc2)sn1.
What is the InChIKey of N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide?
The InChIKey is OUSUWFXHNNTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-7-6-10(16-15-7)11(13)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14).
What are the key properties of N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide?
N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide has a molecular weight of 251.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-3-methyl-1,2-thiazole-5-carboximidamide is sourced from PubChem (CID 71349233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).