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

C11H19N3OS — CID 114757150

IUPAC2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
SMILESCCCc1nsc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-9-13-10(16-14-9)12-8-11(4-5-11)6-7-15/h15H,2-8H2,1H3,(H,12,13,14)
InChIKeyIUSUWDVRGLQGIA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.07
Rot. Bonds7

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

2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114757150) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114757150
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
SMILESCCCc1nsc(NCC2(CCO)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-9-13-10(16-14-9)12-8-11(4-5-11)6-7-15/h15H,2-8H2,1H3,(H,12,13,14)
InChIKeyIUSUWDVRGLQGIA-UHFFFAOYSA-N
XLogP2.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol (CID 114757150) is 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol is CCCc1nsc(NCC2(CCO)CC2)n1.
What is the InChIKey of 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is IUSUWDVRGLQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-9-13-10(16-14-9)12-8-11(4-5-11)6-7-15/h15H,2-8H2,1H3,(H,12,13,14).
What are the key properties of 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 241.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114757150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).