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

C25H21N3S — CID 142505363

IUPACN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3sccn13)C2
InChIInChI=1S/C25H21N3S/c1-2-6-18-13-21(10-9-17(18)5-1)24-23(28-11-12-29-25(28)27-24)16-26-22-14-19-7-3-4-8-20(19)15-22/h1-13,22,26H,14-16H2
InChIKeyKBGIJBPFYWJQPZ-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.47
Rot. Bonds4

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

N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 142505363) has the molecular formula C25H21N3S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID142505363
Molecular FormulaC25H21N3S
Molecular Weight395.53 g/mol
Exact Mass395.15
IUPAC NameN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3sccn13)C2
InChIInChI=1S/C25H21N3S/c1-2-6-18-13-21(10-9-17(18)5-1)24-23(28-11-12-29-25(28)27-24)16-26-22-14-19-7-3-4-8-20(19)15-22/h1-13,22,26H,14-16H2
InChIKeyKBGIJBPFYWJQPZ-UHFFFAOYSA-N
XLogP5.47
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 142505363) is N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3sccn13)C2.
What is the InChIKey of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KBGIJBPFYWJQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3S/c1-2-6-18-13-21(10-9-17(18)5-1)24-23(28-11-12-29-25(28)27-24)16-26-22-14-19-7-3-4-8-20(19)15-22/h1-13,22,26H,14-16H2.
What are the key properties of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 395.53 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 142505363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).