3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C10H16ClN3OS — CID 80609340

IUPAC3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c11-10-13-12-9(16-10)7-14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyYHIMIEPAYNFLBT-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.93
Rot. Bonds5

About 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 80609340) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID80609340
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c11-10-13-12-9(16-10)7-14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyYHIMIEPAYNFLBT-UHFFFAOYSA-N
XLogP1.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
3-[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467372
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467092
ethyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 80611294
3-[1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62480438
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 80609340) is 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nnc(Cl)s1.
What is the InChIKey of 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is YHIMIEPAYNFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c11-10-13-12-9(16-10)7-14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2.
What are the key properties of 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 261.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80609340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).