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

C9H15N3OS — CID 102675228

IUPAC2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(N(CCO)C2CCC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-10-11-9(14-7)12(5-6-13)8-3-2-4-8/h8,13H,2-6H2,1H3
InChIKeyCZPPASQVVIGAOQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.20
Rot. Bonds4

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

2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 102675228) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID102675228
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCc1nnc(N(CCO)C2CCC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-10-11-9(14-7)12(5-6-13)8-3-2-4-8/h8,13H,2-6H2,1H3
InChIKeyCZPPASQVVIGAOQ-UHFFFAOYSA-N
XLogP1.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclobutylamino]ethanol
CID 102675319
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 65209033
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 65208612
2-[(3-amino-4-methyl-1,2-thiazol-5-yl)-cyclohexylamino]ethanol
CID 103361420
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
2-[(4-chloro-1,3-thiazol-2-yl)-cyclobutylamino]ethanol
CID 102865906
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 66183911

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 102675228) is 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is Cc1nnc(N(CCO)C2CCC2)s1.
What is the InChIKey of 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is CZPPASQVVIGAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-10-11-9(14-7)12(5-6-13)8-3-2-4-8/h8,13H,2-6H2,1H3.
What are the key properties of 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 213.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 102675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).