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

C14H16N2OS — CID 61336841

IUPAC1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C14H16N2OS/c1-2-5-10(15)14-16-13-9-6-3-4-7-11(9)17-8-12(13)18-14/h3-4,6-7,10H,2,5,8,15H2,1H3
InChIKeyLREFXFXXXIERRT-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.50
Rot. Bonds3

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

1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine (PubChem CID 61336841) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine
PubChem CID61336841
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C14H16N2OS/c1-2-5-10(15)14-16-13-9-6-3-4-7-11(9)17-8-12(13)18-14/h3-4,6-7,10H,2,5,8,15H2,1H3
InChIKeyLREFXFXXXIERRT-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine?
The IUPAC name of 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine (CID 61336841) is 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine is CCCC(N)c1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine?
The InChIKey is LREFXFXXXIERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-5-10(15)14-16-13-9-6-3-4-7-11(9)17-8-12(13)18-14/h3-4,6-7,10H,2,5,8,15H2,1H3.
What are the key properties of 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine?
1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 61336841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).