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

C12H19N3OS — CID 65274605

IUPAC2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C12H19N3OS/c16-8-7-15(10-3-1-2-4-10)12-13-11(14-17-12)9-5-6-9/h9-10,16H,1-8H2
InChIKeyPMNVWDKUPWNCOR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds5

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

2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65274605) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65274605
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCN(c1nc(C2CC2)ns1)C1CCCC1
InChIInChI=1S/C12H19N3OS/c16-8-7-15(10-3-1-2-4-10)12-13-11(14-17-12)9-5-6-9/h9-10,16H,1-8H2
InChIKeyPMNVWDKUPWNCOR-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484238
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964937
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860364
2-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273152
2-[Butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273331
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol
CID 65273333
2-[Cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273334
2-[Cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273369
2-[Cyclopentyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273392
2-[Cyclopentyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274604

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65274605) is 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is OCCN(c1nc(C2CC2)ns1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is PMNVWDKUPWNCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c16-8-7-15(10-3-1-2-4-10)12-13-11(14-17-12)9-5-6-9/h9-10,16H,1-8H2.
What are the key properties of 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65274605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).