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

C16H22N4OS — CID 133454834

IUPAC3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESOCCC(Nc1nnc(-c2ccccn2)s1)C1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-11-9-13(12-6-2-1-3-7-12)18-16-20-19-15(22-16)14-8-4-5-10-17-14/h4-5,8,10,12-13,21H,1-3,6-7,9,11H2,(H,18,20)
InChIKeyIXJISPLYIRUYQB-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.34
Rot. Bonds6

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

3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 133454834) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID133454834
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESOCCC(Nc1nnc(-c2ccccn2)s1)C1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-11-9-13(12-6-2-1-3-7-12)18-16-20-19-15(22-16)14-8-4-5-10-17-14/h4-5,8,10,12-13,21H,1-3,6-7,9,11H2,(H,18,20)
InChIKeyIXJISPLYIRUYQB-UHFFFAOYSA-N
XLogP3.34
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467402
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
3-cyclohexyl-3-[(2-methyl-4-pyridinyl)amino]propan-1-ol
CID 133464606
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211
(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methanol
CID 58504238
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 75467005
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 133454834) is 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is OCCC(Nc1nnc(-c2ccccn2)s1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is IXJISPLYIRUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-11-9-13(12-6-2-1-3-7-12)18-16-20-19-15(22-16)14-8-4-5-10-17-14/h4-5,8,10,12-13,21H,1-3,6-7,9,11H2,(H,18,20).
What are the key properties of 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 318.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 133454834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).