2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol

C8H14ClN3OS — CID 60696603

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnsc1Cl
InChIInChI=1S/C8H14ClN3OS/c1-2-3-12(4-5-13)6-7-8(9)14-11-10-7/h13H,2-6H2,1H3
InChIKeyJHTZSSCMVINSBV-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.40
Rot. Bonds6

About 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol

2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol (PubChem CID 60696603) has the molecular formula C8H14ClN3OS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
PubChem CID60696603
Molecular FormulaC8H14ClN3OS
Molecular Weight235.74 g/mol
Exact Mass235.05
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nnsc1Cl
InChIInChI=1S/C8H14ClN3OS/c1-2-3-12(4-5-13)6-7-8(9)14-11-10-7/h13H,2-6H2,1H3
InChIKeyJHTZSSCMVINSBV-UHFFFAOYSA-N
XLogP1.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol (CID 60696603) is 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol?
The InChIKey is JHTZSSCMVINSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3OS/c1-2-3-12(4-5-13)6-7-8(9)14-11-10-7/h13H,2-6H2,1H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol?
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol has a molecular weight of 235.74 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 60696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).