[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol

C16H20N2OS — CID 63219275

IUPAC[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN1c1nc(-c2ccccc2)c(CO)s1
InChIInChI=1S/C16H20N2OS/c1-16(2)9-6-10-18(16)15-17-14(13(11-19)20-15)12-7-4-3-5-8-12/h3-5,7-8,19H,6,9-11H2,1-2H3
InChIKeyRHTZANJOMGVAPV-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.68
Rot. Bonds3

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

[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (PubChem CID 63219275) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
PubChem CID63219275
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN1c1nc(-c2ccccc2)c(CO)s1
InChIInChI=1S/C16H20N2OS/c1-16(2)9-6-10-18(16)15-17-14(13(11-19)20-15)12-7-4-3-5-8-12/h3-5,7-8,19H,6,9-11H2,1-2H3
InChIKeyRHTZANJOMGVAPV-UHFFFAOYSA-N
XLogP3.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (CID 63219275) is [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is CC1(C)CCCN1c1nc(-c2ccccc2)c(CO)s1.
What is the InChIKey of [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The InChIKey is RHTZANJOMGVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2)9-6-10-18(16)15-17-14(13(11-19)20-15)12-7-4-3-5-8-12/h3-5,7-8,19H,6,9-11H2,1-2H3.
What are the key properties of [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
[2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63219275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).