N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine

C21H18ClN3S — CID 142505382

IUPACN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc(-c2nc3sccn3c2CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H18ClN3S/c22-17-7-5-14(6-8-17)20-19(25-9-10-26-21(25)24-20)13-23-18-11-15-3-1-2-4-16(15)12-18/h1-10,18,23H,11-13H2
InChIKeyBSDQRQNADFKQOS-UHFFFAOYSA-N
MW379.92 g/mol
LogP4.97
Rot. Bonds4

About N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 142505382) has the molecular formula C21H18ClN3S and a molecular weight of 379.92 g/mol. Its IUPAC name is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID142505382
Molecular FormulaC21H18ClN3S
Molecular Weight379.92 g/mol
Exact Mass379.09
IUPAC NameN-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc(-c2nc3sccn3c2CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H18ClN3S/c22-17-7-5-14(6-8-17)20-19(25-9-10-26-21(25)24-20)13-23-18-11-15-3-1-2-4-16(15)12-18/h1-10,18,23H,11-13H2
InChIKeyBSDQRQNADFKQOS-UHFFFAOYSA-N
XLogP4.97
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.92
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 142505382) is N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine is Clc1ccc(-c2nc3sccn3c2CNC2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BSDQRQNADFKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3S/c22-17-7-5-14(6-8-17)20-19(25-9-10-26-21(25)24-20)13-23-18-11-15-3-1-2-4-16(15)12-18/h1-10,18,23H,11-13H2.
What are the key properties of N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 379.92 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 142505382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).