1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one

C12H14N4OS — CID 142196660

IUPAC1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2nccc(C)n2)nc1C
InChIInChI=1S/C12H14N4OS/c1-4-9(17)10-8(3)15-12(18-10)16-11-13-6-5-7(2)14-11/h5-6H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyUQHCWHFORJZPBM-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one

1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one (PubChem CID 142196660) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one
PubChem CID142196660
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2nccc(C)n2)nc1C
InChIInChI=1S/C12H14N4OS/c1-4-9(17)10-8(3)15-12(18-10)16-11-13-6-5-7(2)14-11/h5-6H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyUQHCWHFORJZPBM-UHFFFAOYSA-N
XLogP2.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one (CID 142196660) is 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(Nc2nccc(C)n2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is UQHCWHFORJZPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-4-9(17)10-8(3)15-12(18-10)16-11-13-6-5-7(2)14-11/h5-6H,4H2,1-3H3,(H,13,14,15,16).
What are the key properties of 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one?
1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 262.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 142196660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).