6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole

C15H13ClN2S — CID 113289291

IUPAC6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESClC1c2ccccc2CC1Cc1cn2ccsc2n1
InChIInChI=1S/C15H13ClN2S/c16-14-11(7-10-3-1-2-4-13(10)14)8-12-9-18-5-6-19-15(18)17-12/h1-6,9,11,14H,7-8H2
InChIKeyBFVWPOBXUHZUSL-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.09
Rot. Bonds2

About 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 113289291) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID113289291
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESClC1c2ccccc2CC1Cc1cn2ccsc2n1
InChIInChI=1S/C15H13ClN2S/c16-14-11(7-10-3-1-2-4-13(10)14)8-12-9-18-5-6-19-15(18)17-12/h1-6,9,11,14H,7-8H2
InChIKeyBFVWPOBXUHZUSL-UHFFFAOYSA-N
XLogP4.09
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.09
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

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CID 115334582
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CID 115334149
6-[(3-chlorocycloheptyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334773
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174033
[1-(2,3-dihydro-1H-inden-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105234349
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
4-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 115332381
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328740
1-(3-chlorocyclobutyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115334519

Frequently Asked Questions

What is the IUPAC name of 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 113289291) is 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole is ClC1c2ccccc2CC1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is BFVWPOBXUHZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-14-11(7-10-3-1-2-4-13(10)14)8-12-9-18-5-6-19-15(18)17-12/h1-6,9,11,14H,7-8H2.
What are the key properties of 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 288.80 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 113289291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).