2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine

C10H9ClN4S — CID 3785911

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13/h1-5H,(H4,12,13,14,15)
InChIKeyYWOBYKMDDDYFTG-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.37
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 3785911) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID3785911
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13/h1-5H,(H4,12,13,14,15)
InChIKeyYWOBYKMDDDYFTG-UHFFFAOYSA-N
XLogP2.37
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Amino-4-(3,4-dichlorophenyl)thiazole
CID 618536
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 610297

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine (CID 3785911) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is YWOBYKMDDDYFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13/h1-5H,(H4,12,13,14,15).
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 252.73 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 3785911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).