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

C10H20N4OS — CID 80606307

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(N)s1
InChIInChI=1S/C10H20N4OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyXISYKOAKACLENI-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.10
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 80606307) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID80606307
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(N)s1
InChIInChI=1S/C10H20N4OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyXISYKOAKACLENI-UHFFFAOYSA-N
XLogP1.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (CID 80606307) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is XISYKOAKACLENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 244.36 g/mol, XLogP of 1.10, 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-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80606307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).