4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole

C13H12Cl3NS — CID 113369403

IUPAC4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
SMILESClCCCc1csc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl3NS/c14-5-1-2-10-8-18-13(17-10)7-9-3-4-11(15)12(16)6-9/h3-4,6,8H,1-2,5,7H2
InChIKeyZXQCXPLZMOTVMP-UHFFFAOYSA-N
MW320.67 g/mol
LogP5.21
Rot. Bonds5

About 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole

4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole (PubChem CID 113369403) has the molecular formula C13H12Cl3NS and a molecular weight of 320.67 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
PubChem CID113369403
Molecular FormulaC13H12Cl3NS
Molecular Weight320.67 g/mol
Exact Mass318.98
IUPAC Name4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
SMILESClCCCc1csc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl3NS/c14-5-1-2-10-8-18-13(17-10)7-9-3-4-11(15)12(16)6-9/h3-4,6,8H,1-2,5,7H2
InChIKeyZXQCXPLZMOTVMP-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.67
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole 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

4-[(4-chlorophenyl)methylsulfanylmethyl]-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 46083426
N-[[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methylpentan-1-amine
CID 91633877
2-[(3,4-dichlorophenyl)methyl]-4-[(4-methoxyphenyl)methylsulfanylmethyl]-1,3-thiazole
CID 46083357
2-(3-chloropropyl)-5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazole
CID 63044922
2-[[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 46083444
2-[(4-chlorophenyl)sulfanylmethyl]-4-(3-chloropropyl)-1,3-thiazole
CID 113369420
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 113422961
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole (CID 113369403) is 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole is ClCCCc1csc(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole?
The InChIKey is ZXQCXPLZMOTVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NS/c14-5-1-2-10-8-18-13(17-10)7-9-3-4-11(15)12(16)6-9/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole?
4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole has a molecular weight of 320.67 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 113369403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).