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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Related Compounds

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethyl-1-methoxypropan-2-amine
CID 80611577
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol
CID 80609190
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
CID 80610850
3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
CID 79764333
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylamino]ethanol
CID 62021145
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 60693391
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80609197
2-[1,2-oxazol-4-ylmethyl(propan-2-yl)amino]ethanol
CID 62020780
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 62890496
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 80611171
1-(5-chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018

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).