5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine

C15H12N4S — CID 63020712

IUPAC5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)Cc2ccccc2-3)c(N)n1
InChIInChI=1S/C15H12N4S/c1-8-17-7-11(14(16)18-8)15-19-13-10-5-3-2-4-9(10)6-12(13)20-15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyAGLOOUUXRJQUCX-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.06
Rot. Bonds1

About 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine

5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 63020712) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
PubChem CID63020712
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)Cc2ccccc2-3)c(N)n1
InChIInChI=1S/C15H12N4S/c1-8-17-7-11(14(16)18-8)15-19-13-10-5-3-2-4-9(10)6-12(13)20-15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyAGLOOUUXRJQUCX-UHFFFAOYSA-N
XLogP3.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine (CID 63020712) is 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine is Cc1ncc(-c2nc3c(s2)Cc2ccccc2-3)c(N)n1.
What is the InChIKey of 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is AGLOOUUXRJQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-8-17-7-11(14(16)18-8)15-19-13-10-5-3-2-4-9(10)6-12(13)20-15/h2-5,7H,6H2,1H3,(H2,16,17,18).
What are the key properties of 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 280.36 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 63020712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).