3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol

C11H19N3OS — CID 103894661

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-3-11(2,6-7-15)13-10-12-9(14-16-10)8-4-5-8/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYAFILNDROZLADZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.38
Rot. Bonds6

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol (PubChem CID 103894661) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
PubChem CID103894661
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3OS/c1-3-11(2,6-7-15)13-10-12-9(14-16-10)8-4-5-8/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYAFILNDROZLADZ-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol (CID 103894661) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol?
The InChIKey is YAFILNDROZLADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-11(2,6-7-15)13-10-12-9(14-16-10)8-4-5-8/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 103894661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).