[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol

C8H14N4OS — CID 112628703

IUPAC[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESNc1snnc1CN1CCC(CO)C1
InChIInChI=1S/C8H14N4OS/c9-8-7(10-11-14-8)4-12-2-1-6(3-12)5-13/h6,13H,1-5,9H2
InChIKeyYPGSIPKLBAEMCK-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.07
Rot. Bonds3

About [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol

[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 112628703) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID112628703
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESNc1snnc1CN1CCC(CO)C1
InChIInChI=1S/C8H14N4OS/c9-8-7(10-11-14-8)4-12-2-1-6(3-12)5-13/h6,13H,1-5,9H2
InChIKeyYPGSIPKLBAEMCK-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 107228743
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
4-(piperidin-1-ylmethyl)thiadiazol-5-amine
CID 62184620
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
CID 62178576
ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate
CID 62176464
[(3S)-1-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 97169735
2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356472
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797

Frequently Asked Questions

What is the IUPAC name of [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol (CID 112628703) is [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol is Nc1snnc1CN1CCC(CO)C1.
What is the InChIKey of [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is YPGSIPKLBAEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-8-7(10-11-14-8)4-12-2-1-6(3-12)5-13/h6,13H,1-5,9H2.
What are the key properties of [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 214.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).