[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol

C10H18N4OS — CID 167838202

IUPAC[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CN(c2nnc(CO)s2)CCN1C
InChIInChI=1S/C10H18N4OS/c1-3-8-6-14(5-4-13(8)2)10-12-11-9(7-15)16-10/h8,15H,3-7H2,1-2H3
InChIKeyYSAQMJGORWZOQO-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.56
Rot. Bonds3

About [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol

[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol (PubChem CID 167838202) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
PubChem CID167838202
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
SMILESCCC1CN(c2nnc(CO)s2)CCN1C
InChIInChI=1S/C10H18N4OS/c1-3-8-6-14(5-4-13(8)2)10-12-11-9(7-15)16-10/h8,15H,3-7H2,1-2H3
InChIKeyYSAQMJGORWZOQO-UHFFFAOYSA-N
XLogP0.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The IUPAC name of [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol (CID 167838202) is [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol.
What is the SMILES notation for [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The canonical SMILES for [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol is CCC1CN(c2nnc(CO)s2)CCN1C.
What is the InChIKey of [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
The InChIKey is YSAQMJGORWZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-8-6-14(5-4-13(8)2)10-12-11-9(7-15)16-10/h8,15H,3-7H2,1-2H3.
What are the key properties of [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol?
[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol has a molecular weight of 242.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol is sourced from PubChem (CID 167838202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).