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

C20H27N3OS — CID 97118512

IUPAC[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1ccc(C[C@@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)cc1
InChIInChI=1S/C20H27N3OS/c24-15-17-5-3-16(4-6-17)11-18-7-10-22(13-18)14-19-12-21-20(25-19)23-8-1-2-9-23/h3-6,12,18,24H,1-2,7-11,13-15H2/t18-/m0/s1
InChIKeyQSMJCZGGOYYJCJ-SFHVURJKSA-N
MW357.52 g/mol
LogP3.30
Rot. Bonds6

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

[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97118512) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97118512
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1ccc(C[C@@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)cc1
InChIInChI=1S/C20H27N3OS/c24-15-17-5-3-16(4-6-17)11-18-7-10-22(13-18)14-19-12-21-20(25-19)23-8-1-2-9-23/h3-6,12,18,24H,1-2,7-11,13-15H2/t18-/m0/s1
InChIKeyQSMJCZGGOYYJCJ-SFHVURJKSA-N
XLogP3.30
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 97118512) is [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is OCc1ccc(C[C@@H]2CCN(Cc3cnc(N4CCCC4)s3)C2)cc1.
What is the InChIKey of [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is QSMJCZGGOYYJCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-15-17-5-3-16(4-6-17)11-18-7-10-22(13-18)14-19-12-21-20(25-19)23-8-1-2-9-23/h3-6,12,18,24H,1-2,7-11,13-15H2/t18-/m0/s1.
What are the key properties of [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 357.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97118512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).