4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole

C9H9Cl2N3S — CID 130512359

IUPAC4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
SMILESCn1c(Cl)cnc1-c1nc(CCCl)cs1
InChIInChI=1S/C9H9Cl2N3S/c1-14-7(11)4-12-8(14)9-13-6(2-3-10)5-15-9/h4-5H,2-3H2,1H3
InChIKeySTYXLIKNDGGVDQ-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole

4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole (PubChem CID 130512359) has the molecular formula C9H9Cl2N3S and a molecular weight of 262.16 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
PubChem CID130512359
Molecular FormulaC9H9Cl2N3S
Molecular Weight262.16 g/mol
Exact Mass260.99
IUPAC Name4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
SMILESCn1c(Cl)cnc1-c1nc(CCCl)cs1
InChIInChI=1S/C9H9Cl2N3S/c1-14-7(11)4-12-8(14)9-13-6(2-3-10)5-15-9/h4-5H,2-3H2,1H3
InChIKeySTYXLIKNDGGVDQ-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 114275714
2-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazole
CID 130965339
1-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114239483
4-(2-chloroethyl)-2-(1-methyltriazol-4-yl)-1,3-thiazole
CID 130598605
4-[4-(2-chloroethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-oxazole
CID 130517502
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
4-(2-chloroethyl)-2-(2-methoxy-5-methylphenyl)-1,3-thiazole
CID 116888989
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
5-chloro-2-(3-chloropropyl)-1-methylimidazole
CID 165445554
2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanol
CID 130512447
4-(3-chloropropyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 114754541

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole (CID 130512359) is 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole is Cn1c(Cl)cnc1-c1nc(CCCl)cs1.
What is the InChIKey of 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole?
The InChIKey is STYXLIKNDGGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3S/c1-14-7(11)4-12-8(14)9-13-6(2-3-10)5-15-9/h4-5H,2-3H2,1H3.
What are the key properties of 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole?
4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole has a molecular weight of 262.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 130512359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).