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

C10H18ClN3OS — CID 80611855

IUPAC2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(Cl)s1
InChIInChI=1S/C10H18ClN3OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3
InChIKeyCUUCAILTQIHIMY-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.17
Rot. Bonds7

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

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 80611855) has the molecular formula C10H18ClN3OS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID80611855
Molecular FormulaC10H18ClN3OS
Molecular Weight263.79 g/mol
Exact Mass263.09
IUPAC Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nnc(Cl)s1
InChIInChI=1S/C10H18ClN3OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3
InChIKeyCUUCAILTQIHIMY-UHFFFAOYSA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol (CID 80611855) is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1nnc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is CUUCAILTQIHIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3OS/c1-3-8(4-2)14(5-6-15)7-9-12-13-10(11)16-9/h8,15H,3-7H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 263.79 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80611855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).