4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole

C13H12Cl2N2S — CID 80687390

IUPAC4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(CCl)s1
InChIInChI=1S/C13H12Cl2N2S/c1-8-6-9-4-2-3-5-10(9)17(8)13-16-12(15)11(7-14)18-13/h2-5,8H,6-7H2,1H3
InChIKeyQMBMJSULELDDSV-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.62
Rot. Bonds2

About 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole

4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole (PubChem CID 80687390) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
PubChem CID80687390
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
SMILESCC1Cc2ccccc2N1c1nc(Cl)c(CCl)s1
InChIInChI=1S/C13H12Cl2N2S/c1-8-6-9-4-2-3-5-10(9)17(8)13-16-12(15)11(7-14)18-13/h2-5,8H,6-7H2,1H3
InChIKeyQMBMJSULELDDSV-UHFFFAOYSA-N
XLogP4.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.62
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

4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
3-[4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]propanoic acid
CID 82161972
4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 79398878
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51727342
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole (CID 80687390) is 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole is CC1Cc2ccccc2N1c1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The InChIKey is QMBMJSULELDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8-6-9-4-2-3-5-10(9)17(8)13-16-12(15)11(7-14)18-13/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole has a molecular weight of 299.23 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole is sourced from PubChem (CID 80687390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).