4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol

C14H17N3OS — CID 167750898

IUPAC4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol
SMILESOc1ccc(CC2CCN(Cc3cnsn3)C2)cc1
InChIInChI=1S/C14H17N3OS/c18-14-3-1-11(2-4-14)7-12-5-6-17(9-12)10-13-8-15-19-16-13/h1-4,8,12,18H,5-7,9-10H2
InChIKeyWRYVCOSTUHHDKY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.31
Rot. Bonds4

About 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol

4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol (PubChem CID 167750898) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol
PubChem CID167750898
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol
SMILESOc1ccc(CC2CCN(Cc3cnsn3)C2)cc1
InChIInChI=1S/C14H17N3OS/c18-14-3-1-11(2-4-14)7-12-5-6-17(9-12)10-13-8-15-19-16-13/h1-4,8,12,18H,5-7,9-10H2
InChIKeyWRYVCOSTUHHDKY-UHFFFAOYSA-N
XLogP2.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol with MolForge

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Related Compounds

3-[[4-(chloromethyl)azepan-1-yl]methyl]-1,2,5-thiadiazole
CID 130942599
[4-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97152240
3-[(3-chloropiperidin-1-yl)methyl]-1,2,5-thiadiazole
CID 130815414
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol
CID 10609465
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
4-fluoro-2-[[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]phenol
CID 136529782
3-[[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]phenol
CID 166615099
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
(3R,4R)-4-methoxy-1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-ol
CID 131015087

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol?
The IUPAC name of 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol (CID 167750898) is 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol is Oc1ccc(CC2CCN(Cc3cnsn3)C2)cc1.
What is the InChIKey of 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol?
The InChIKey is WRYVCOSTUHHDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14-3-1-11(2-4-14)7-12-5-6-17(9-12)10-13-8-15-19-16-13/h1-4,8,12,18H,5-7,9-10H2.
What are the key properties of 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol?
4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol has a molecular weight of 275.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol is sourced from PubChem (CID 167750898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).