2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol

C12H21N3OS — CID 65275448

IUPAC2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(N(CCO)C2CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15(7-8-16)10-5-3-4-6-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKDDJZJUOEYDIJW-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.40
Rot. Bonds5

About 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol

2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65275448) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65275448
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(N(CCO)C2CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15(7-8-16)10-5-3-4-6-10/h9-10,16H,3-8H2,1-2H3
InChIKeyKDDJZJUOEYDIJW-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65275448) is 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is CC(C)c1nsc(N(CCO)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is KDDJZJUOEYDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)11-13-12(17-14-11)15(7-8-16)10-5-3-4-6-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 255.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65275448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).