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

C8H13N3OS — CID 65273152

IUPAC2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)C2CC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11(4-5-12)7-2-3-7/h7,12H,2-5H2,1H3
InChIKeyRSECFZVUTOXFQO-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds4

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

2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65273152) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65273152
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)C2CC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11(4-5-12)7-2-3-7/h7,12H,2-5H2,1H3
InChIKeyRSECFZVUTOXFQO-UHFFFAOYSA-N
XLogP0.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305729
2-[Cyclobutyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305753
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484111

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65273152) is 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is RSECFZVUTOXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-9-8(13-10-6)11(4-5-12)7-2-3-7/h7,12H,2-5H2,1H3.
What are the key properties of 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 199.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65273152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).