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

C9H18N4OS — CID 80607115

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4OS/c1-2-3-4-13(5-6-14)7-8-11-12-9(10)15-8/h14H,2-7H2,1H3,(H2,10,12)
InChIKeyAOJQVHSOOMWQFS-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.71
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol (PubChem CID 80607115) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol
PubChem CID80607115
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4OS/c1-2-3-4-13(5-6-14)7-8-11-12-9(10)15-8/h14H,2-7H2,1H3,(H2,10,12)
InChIKeyAOJQVHSOOMWQFS-UHFFFAOYSA-N
XLogP0.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107486196
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486249
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 79021703
5-[[Butyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 79021770
5-[[Bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 79021831
5-[[Butyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 79021832
2-[4-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79021905
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 80606307
5-[[2-Methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606311
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-cyclopropylamino]ethanol
CID 80606316
1-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]propan-2-ol
CID 80606319
1-[Methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol (CID 80607115) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol is CCCCN(CCO)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol?
The InChIKey is AOJQVHSOOMWQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-2-3-4-13(5-6-14)7-8-11-12-9(10)15-8/h14H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol has a molecular weight of 230.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-butylamino]ethanol is sourced from PubChem (CID 80607115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).