[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol

C7H11N3OS — CID 174489281

IUPAC[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol
SMILESCN(c1nc(CO)ns1)C1CC1
InChIInChI=1S/C7H11N3OS/c1-10(5-2-3-5)7-8-6(4-11)9-12-7/h5,11H,2-4H2,1H3
InChIKeyFRBPFGWGGBCXBR-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.63
Rot. Bonds3

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

[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol (PubChem CID 174489281) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol
PubChem CID174489281
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol
SMILESCN(c1nc(CO)ns1)C1CC1
InChIInChI=1S/C7H11N3OS/c1-10(5-2-3-5)7-8-6(4-11)9-12-7/h5,11H,2-4H2,1H3
InChIKeyFRBPFGWGGBCXBR-UHFFFAOYSA-N
XLogP0.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol?
The IUPAC name of [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol (CID 174489281) is [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol.
What is the SMILES notation for [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol?
The canonical SMILES for [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol is CN(c1nc(CO)ns1)C1CC1.
What is the InChIKey of [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol?
The InChIKey is FRBPFGWGGBCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-10(5-2-3-5)7-8-6(4-11)9-12-7/h5,11H,2-4H2,1H3.
What are the key properties of [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol?
[5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol has a molecular weight of 185.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol is sourced from PubChem (CID 174489281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).