1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol

C6H11N3O2S — CID 65273878

IUPAC1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol
SMILESCOCC(O)CNc1ncns1
InChIInChI=1S/C6H11N3O2S/c1-11-3-5(10)2-7-6-8-4-9-12-6/h4-5,10H,2-3H2,1H3,(H,7,8,9)
InChIKeyHEAQSRYUDDPRRS-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.04
Rot. Bonds5

About 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol

1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol (PubChem CID 65273878) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol
PubChem CID65273878
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol
SMILESCOCC(O)CNc1ncns1
InChIInChI=1S/C6H11N3O2S/c1-11-3-5(10)2-7-6-8-4-9-12-6/h4-5,10H,2-3H2,1H3,(H,7,8,9)
InChIKeyHEAQSRYUDDPRRS-UHFFFAOYSA-N
XLogP-0.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol (CID 65273878) is 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol is COCC(O)CNc1ncns1.
What is the InChIKey of 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol?
The InChIKey is HEAQSRYUDDPRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-11-3-5(10)2-7-6-8-4-9-12-6/h4-5,10H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol?
1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol has a molecular weight of 189.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1,2,4-thiadiazol-5-ylamino)propan-2-ol is sourced from PubChem (CID 65273878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).