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

C16H17N5OS — CID 133455211

IUPAC2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESOCC(CNc1nnc(-c2ccccn2)s1)Cc1ccccn1
InChIInChI=1S/C16H17N5OS/c22-11-12(9-13-5-1-3-7-17-13)10-19-16-21-20-15(23-16)14-6-2-4-8-18-14/h1-8,12,22H,9-11H2,(H,19,21)
InChIKeyCHMXOMOCSMOAPC-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.26
Rot. Bonds7

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

2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 133455211) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID133455211
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESOCC(CNc1nnc(-c2ccccn2)s1)Cc1ccccn1
InChIInChI=1S/C16H17N5OS/c22-11-12(9-13-5-1-3-7-17-13)10-19-16-21-20-15(23-16)14-6-2-4-8-18-14/h1-8,12,22H,9-11H2,(H,19,21)
InChIKeyCHMXOMOCSMOAPC-UHFFFAOYSA-N
XLogP2.26
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol with MolForge

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Related Compounds

2-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335566
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
2-(pyridin-2-ylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111824222
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 86784838
2-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335592
(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methanol
CID 58504238
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133454834
2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 133455211) is 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is OCC(CNc1nnc(-c2ccccn2)s1)Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is CHMXOMOCSMOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-11-12(9-13-5-1-3-7-17-13)10-19-16-21-20-15(23-16)14-6-2-4-8-18-14/h1-8,12,22H,9-11H2,(H,19,21).
What are the key properties of 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 327.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 133455211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).