[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol

C9H15N3OS — CID 65276916

IUPAC[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol
SMILESOCC1(Nc2ncns2)CCCCC1
InChIInChI=1S/C9H15N3OS/c13-6-9(4-2-1-3-5-9)12-8-10-7-11-14-8/h7,13H,1-6H2,(H,10,11,12)
InChIKeyFUJZPLYOLDNHRE-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.65
Rot. Bonds3

About [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol

[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol (PubChem CID 65276916) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol
PubChem CID65276916
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol
SMILESOCC1(Nc2ncns2)CCCCC1
InChIInChI=1S/C9H15N3OS/c13-6-9(4-2-1-3-5-9)12-8-10-7-11-14-8/h7,13H,1-6H2,(H,10,11,12)
InChIKeyFUJZPLYOLDNHRE-UHFFFAOYSA-N
XLogP1.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol?
The IUPAC name of [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol (CID 65276916) is [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol is OCC1(Nc2ncns2)CCCCC1.
What is the InChIKey of [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol?
The InChIKey is FUJZPLYOLDNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-6-9(4-2-1-3-5-9)12-8-10-7-11-14-8/h7,13H,1-6H2,(H,10,11,12).
What are the key properties of [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol?
[1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol has a molecular weight of 213.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,4-thiadiazol-5-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 65276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).