N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine

C16H24N4OS — CID 97227175

IUPACN-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
SMILESCCO[C@@H](C)c1nc(CN(C)c2nc(C)nc(C)c2C)cs1
InChIInChI=1S/C16H24N4OS/c1-7-21-12(4)16-19-14(9-22-16)8-20(6)15-10(2)11(3)17-13(5)18-15/h9,12H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyQLLLPXJNNINSIL-LBPRGKRZSA-N
MW320.46 g/mol
LogP3.59
Rot. Bonds6

About N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine

N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine (PubChem CID 97227175) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
PubChem CID97227175
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine
SMILESCCO[C@@H](C)c1nc(CN(C)c2nc(C)nc(C)c2C)cs1
InChIInChI=1S/C16H24N4OS/c1-7-21-12(4)16-19-14(9-22-16)8-20(6)15-10(2)11(3)17-13(5)18-15/h9,12H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyQLLLPXJNNINSIL-LBPRGKRZSA-N
XLogP3.59
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The IUPAC name of N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine (CID 97227175) is N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine.
What is the SMILES notation for N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The canonical SMILES for N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine is CCO[C@@H](C)c1nc(CN(C)c2nc(C)nc(C)c2C)cs1.
What is the InChIKey of N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
The InChIKey is QLLLPXJNNINSIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-7-21-12(4)16-19-14(9-22-16)8-20(6)15-10(2)11(3)17-13(5)18-15/h9,12H,7-8H2,1-6H3/t12-/m0/s1.
What are the key properties of N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine?
N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine has a molecular weight of 320.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,5,6-tetramethylpyrimidin-4-amine is sourced from PubChem (CID 97227175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).