2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol

C18H20N4OS — CID 44593470

IUPAC2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)c1
InChIInChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)
InChIKeyQIYHYLDEYCTUSQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol

2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 44593470) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID44593470
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)c1
InChIInChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)
InChIKeyQIYHYLDEYCTUSQ-UHFFFAOYSA-N
XLogP3.80
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 44593470) is 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CCO)s3)n2)c1.
What is the InChIKey of 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is QIYHYLDEYCTUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22).
What are the key properties of 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol?
2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 340.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 44593470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).