[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol

C15H18N2OS — CID 62780508

IUPAC[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCC(c3ccccc3)C2)sc1CO
InChIInChI=1S/C15H18N2OS/c1-11-14(10-18)19-15(16-11)17-8-7-13(9-17)12-5-3-2-4-6-12/h2-6,13,18H,7-10H2,1H3
InChIKeyAVOJVIARFSHNCV-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.94
Rot. Bonds3

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

[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62780508) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62780508
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCC(c3ccccc3)C2)sc1CO
InChIInChI=1S/C15H18N2OS/c1-11-14(10-18)19-15(16-11)17-8-7-13(9-17)12-5-3-2-4-6-12/h2-6,13,18H,7-10H2,1H3
InChIKeyAVOJVIARFSHNCV-UHFFFAOYSA-N
XLogP2.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol (CID 62780508) is [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol is Cc1nc(N2CCC(c3ccccc3)C2)sc1CO.
What is the InChIKey of [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is AVOJVIARFSHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-14(10-18)19-15(16-11)17-8-7-13(9-17)12-5-3-2-4-6-12/h2-6,13,18H,7-10H2,1H3.
What are the key properties of [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 274.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).