4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine

C10H7Cl3N2S — CID 82179811

IUPAC4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClCc1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H7Cl3N2S/c11-4-9-5-16-10(15-9)14-8-2-6(12)1-7(13)3-8/h1-3,5H,4H2,(H,14,15)
InChIKeyBJAYMPNQHQSYKE-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.93
Rot. Bonds3

About 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 82179811) has the molecular formula C10H7Cl3N2S and a molecular weight of 293.61 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID82179811
Molecular FormulaC10H7Cl3N2S
Molecular Weight293.61 g/mol
Exact Mass291.94
IUPAC Name4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClCc1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H7Cl3N2S/c11-4-9-5-16-10(15-9)14-8-2-6(12)1-7(13)3-8/h1-3,5H,4H2,(H,14,15)
InChIKeyBJAYMPNQHQSYKE-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine 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

2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 9154802
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532
2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
CID 123698759
4-(chloromethyl)-N-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179805
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 88640379
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7892282
4-(chloromethyl)-N-(2-methyl-6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108778499

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine (CID 82179811) is 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine is ClCc1csc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is BJAYMPNQHQSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2S/c11-4-9-5-16-10(15-9)14-8-2-6(12)1-7(13)3-8/h1-3,5H,4H2,(H,14,15).
What are the key properties of 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 293.61 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82179811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).