[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol

C12H22N4OS — CID 62208088

IUPAC[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCCCNc1snnc1CN1CCCCC1CO
InChIInChI=1S/C12H22N4OS/c1-2-6-13-12-11(14-15-18-12)8-16-7-4-3-5-10(16)9-17/h10,13,17H,2-9H2,1H3
InChIKeyBBOOQAGKJAOLQL-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.71
Rot. Bonds6

About [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol

[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol (PubChem CID 62208088) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
PubChem CID62208088
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCCCNc1snnc1CN1CCCCC1CO
InChIInChI=1S/C12H22N4OS/c1-2-6-13-12-11(14-15-18-12)8-16-7-4-3-5-10(16)9-17/h10,13,17H,2-9H2,1H3
InChIKeyBBOOQAGKJAOLQL-UHFFFAOYSA-N
XLogP1.71
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
CID 62184364
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
CID 62183515
[4-[(2-ethylpyrrolidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245357
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 83222159
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770509
3-[1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62480438
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 62207774
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
CID 62209524
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 62209676
2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol (CID 62208088) is [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol is CCCNc1snnc1CN1CCCCC1CO.
What is the InChIKey of [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is BBOOQAGKJAOLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-2-6-13-12-11(14-15-18-12)8-16-7-4-3-5-10(16)9-17/h10,13,17H,2-9H2,1H3.
What are the key properties of [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol?
[1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62208088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).