3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol

C8H15N3OS — CID 65274352

IUPAC3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncns1
InChIInChI=1S/C8H15N3OS/c1-3-8(12,4-2)5-9-7-10-6-11-13-7/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyLMULVDLTGCDHKF-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.50
Rot. Bonds5

About 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol

3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol (PubChem CID 65274352) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol
PubChem CID65274352
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncns1
InChIInChI=1S/C8H15N3OS/c1-3-8(12,4-2)5-9-7-10-6-11-13-7/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyLMULVDLTGCDHKF-UHFFFAOYSA-N
XLogP1.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol (CID 65274352) is 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNc1ncns1.
What is the InChIKey of 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol?
The InChIKey is LMULVDLTGCDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-8(12,4-2)5-9-7-10-6-11-13-7/h6,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol?
3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol has a molecular weight of 201.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,4-thiadiazol-5-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65274352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).