1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine

C14H16N2S — CID 61337625

IUPAC1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C14H16N2S/c1-2-5-11(15)14-16-13-10-7-4-3-6-9(10)8-12(13)17-14/h3-4,6-7,11H,2,5,8,15H2,1H3
InChIKeyBUDUHJWUNRDLNV-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.51
Rot. Bonds3

About 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine

1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine (PubChem CID 61337625) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine
PubChem CID61337625
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)Cc1ccccc1-2
InChIInChI=1S/C14H16N2S/c1-2-5-11(15)14-16-13-10-7-4-3-6-9(10)8-12(13)17-14/h3-4,6-7,11H,2,5,8,15H2,1H3
InChIKeyBUDUHJWUNRDLNV-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine (CID 61337625) is 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine is CCCC(N)c1nc2c(s1)Cc1ccccc1-2.
What is the InChIKey of 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine?
The InChIKey is BUDUHJWUNRDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-5-11(15)14-16-13-10-7-4-3-6-9(10)8-12(13)17-14/h3-4,6-7,11H,2,5,8,15H2,1H3.
What are the key properties of 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine?
1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61337625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).