1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol

C9H15N3OS — CID 65274773

IUPAC1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-6(13)5-12(2)9-10-8(11-14-9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyYZFOIEPKQGCDFF-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.23
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol

1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol (PubChem CID 65274773) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol
PubChem CID65274773
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3OS/c1-6(13)5-12(2)9-10-8(11-14-9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyYZFOIEPKQGCDFF-UHFFFAOYSA-N
XLogP1.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol (CID 65274773) is 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1nc(C2CC2)ns1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol?
The InChIKey is YZFOIEPKQGCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(13)5-12(2)9-10-8(11-14-9)7-3-4-7/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol?
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol has a molecular weight of 213.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 65274773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).