[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol

C16H22N2OS — CID 62780155

IUPAC[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESCCCC(C)N(C)c1nc(-c2ccccc2)c(CO)s1
InChIInChI=1S/C16H22N2OS/c1-4-8-12(2)18(3)16-17-15(14(11-19)20-16)13-9-6-5-7-10-13/h5-7,9-10,12,19H,4,8,11H2,1-3H3
InChIKeyGLYXIVBXWJYAIQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.93
Rot. Bonds6

About [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol

[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780155) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
PubChem CID62780155
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESCCCC(C)N(C)c1nc(-c2ccccc2)c(CO)s1
InChIInChI=1S/C16H22N2OS/c1-4-8-12(2)18(3)16-17-15(14(11-19)20-16)13-9-6-5-7-10-13/h5-7,9-10,12,19H,4,8,11H2,1-3H3
InChIKeyGLYXIVBXWJYAIQ-UHFFFAOYSA-N
XLogP3.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol (CID 62780155) is [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol is CCCC(C)N(C)c1nc(-c2ccccc2)c(CO)s1.
What is the InChIKey of [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol?
The InChIKey is GLYXIVBXWJYAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-8-12(2)18(3)16-17-15(14(11-19)20-16)13-9-6-5-7-10-13/h5-7,9-10,12,19H,4,8,11H2,1-3H3.
What are the key properties of [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol?
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).