3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol

C13H18N4OS — CID 133442973

IUPAC3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H18N4OS/c1-3-13(18,4-2)9-15-12-17-16-11(19-12)10-7-5-6-8-14-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyZBCSTHIDAXDCCE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.56
Rot. Bonds6

About 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol

3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol (PubChem CID 133442973) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
PubChem CID133442973
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H18N4OS/c1-3-13(18,4-2)9-15-12-17-16-11(19-12)10-7-5-6-8-14-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyZBCSTHIDAXDCCE-UHFFFAOYSA-N
XLogP2.56
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methanol
CID 58504238
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102956
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol (CID 133442973) is 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nnc(-c2ccccn2)s1.
What is the InChIKey of 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is ZBCSTHIDAXDCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-13(18,4-2)9-15-12-17-16-11(19-12)10-7-5-6-8-14-10/h5-8,18H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol?
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 278.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 133442973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).