4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole

C15H13ClN2S — CID 114031537

IUPAC4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C(Cl)Cc2ccc3ccccc3n2)cs1
InChIInChI=1S/C15H13ClN2S/c1-10-17-15(9-19-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8H2,1H3
InChIKeyVFHXISCSRLTKDM-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.52
Rot. Bonds3

About 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole

4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole (PubChem CID 114031537) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
PubChem CID114031537
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C(Cl)Cc2ccc3ccccc3n2)cs1
InChIInChI=1S/C15H13ClN2S/c1-10-17-15(9-19-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8H2,1H3
InChIKeyVFHXISCSRLTKDM-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762
2-[2-(5-bromo-2-methylphenyl)-2-chloroethyl]quinoline
CID 66459957
2-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]quinoline
CID 80538265
2-[2-chloro-2-(3-iodophenyl)ethyl]quinoline
CID 66460157
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-thiazole
CID 114031406
1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
CID 105159187
2-[2-chloro-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]quinoline
CID 66459340

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole (CID 114031537) is 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole is Cc1nc(C(Cl)Cc2ccc3ccccc3n2)cs1.
What is the InChIKey of 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole?
The InChIKey is VFHXISCSRLTKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-10-17-15(9-19-10)13(16)8-12-7-6-11-4-2-3-5-14(11)18-12/h2-7,9,13H,8H2,1H3.
What are the key properties of 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole?
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole has a molecular weight of 288.80 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 114031537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).