[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol

C11H20N4OS — CID 80606257

IUPAC[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
SMILESCCNc1nnc(CN2CCC(CO)CC2)s1
InChIInChI=1S/C11H20N4OS/c1-2-12-11-14-13-10(17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,2-8H2,1H3,(H,12,14)
InChIKeyVOUCEOZSQIBMSK-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.17
Rot. Bonds5

About [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol

[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol (PubChem CID 80606257) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
PubChem CID80606257
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
SMILESCCNc1nnc(CN2CCC(CO)CC2)s1
InChIInChI=1S/C11H20N4OS/c1-2-12-11-14-13-10(17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,2-8H2,1H3,(H,12,14)
InChIKeyVOUCEOZSQIBMSK-UHFFFAOYSA-N
XLogP1.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol (CID 80606257) is [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol is CCNc1nnc(CN2CCC(CO)CC2)s1.
What is the InChIKey of [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is VOUCEOZSQIBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-12-11-14-13-10(17-11)7-15-5-3-9(8-16)4-6-15/h9,16H,2-8H2,1H3,(H,12,14).
What are the key properties of [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol?
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 80606257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).