[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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Related Compounds

formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 171712121
(3R,4R)-4-(azepan-1-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 56853466
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 162625989
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
CID 62753317
[4-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97152240
[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009431
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 131934364

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).