2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol

C10H18N4OS — CID 107228743

IUPAC2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1snnc1CN1CCCC(CCO)C1
InChIInChI=1S/C10H18N4OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7,11H2
InChIKeyBVDLTYWYYYQFJH-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.71
Rot. Bonds4

About 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 107228743) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID107228743
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESNc1snnc1CN1CCCC(CCO)C1
InChIInChI=1S/C10H18N4OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7,11H2
InChIKeyBVDLTYWYYYQFJH-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356472
[1-[(5-aminothiadiazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 112628703
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]ethanol
CID 107228739
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
2-[(5-aminothiadiazol-4-yl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863304
4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
CID 62178576
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62358015
N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241351

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 107228743) is 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol is Nc1snnc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is BVDLTYWYYYQFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c11-10-9(12-13-16-10)7-14-4-1-2-8(6-14)3-5-15/h8,15H,1-7,11H2.
What are the key properties of 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 242.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-aminothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).