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

C8H14ClN3OS — CID 80611576

IUPAC2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nnc(Cl)s1
InChIInChI=1S/C8H14ClN3OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3
InChIKeyVEMOVMSZDROBFY-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.39
Rot. Bonds5

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

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 80611576) has the molecular formula C8H14ClN3OS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
PubChem CID80611576
Molecular FormulaC8H14ClN3OS
Molecular Weight235.74 g/mol
Exact Mass235.05
IUPAC Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1nnc(Cl)s1
InChIInChI=1S/C8H14ClN3OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3
InChIKeyVEMOVMSZDROBFY-UHFFFAOYSA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.39
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-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol (CID 80611576) is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1nnc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is VEMOVMSZDROBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3OS/c1-6(2)12(3-4-13)5-7-10-11-8(9)14-7/h6,13H,3-5H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol?
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 235.74 g/mol, XLogP of 1.39, 5 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-propan-2-ylamino]ethanol is sourced from PubChem (CID 80611576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).