[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol

C18H24N2OS — CID 169260106

IUPAC[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1CO
InChIInChI=1S/C18H24N2OS/c1-14-18(20-12-6-10-16(20)13-21)22-17(19-14)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16,21H,5-6,9-13H2,1H3/t16-/m0/s1
InChIKeyVYZYINGZDRUALZ-INIZCTEOSA-N
MW316.47 g/mol
LogP3.59
Rot. Bonds6

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

[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 169260106) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol
PubChem CID169260106
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol
SMILESCc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1CO
InChIInChI=1S/C18H24N2OS/c1-14-18(20-12-6-10-16(20)13-21)22-17(19-14)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16,21H,5-6,9-13H2,1H3/t16-/m0/s1
InChIKeyVYZYINGZDRUALZ-INIZCTEOSA-N
XLogP3.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol (CID 169260106) is [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol is Cc1nc(CCCc2ccccc2)sc1N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VYZYINGZDRUALZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14-18(20-12-6-10-16(20)13-21)22-17(19-14)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16,21H,5-6,9-13H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 316.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-methyl-2-(3-phenylpropyl)-1,3-thiazol-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 169260106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).