1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H11Cl2N3O2S — CID 60898964

IUPAC1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1Cl)COc1cnsn1
InChIInChI=1S/C11H11Cl2N3O2S/c12-7-1-2-9(13)10(3-7)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2
InChIKeyBLSHSVGZCLHCJX-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60898964) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60898964
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC Name1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cc(Cl)ccc1Cl)COc1cnsn1
InChIInChI=1S/C11H11Cl2N3O2S/c12-7-1-2-9(13)10(3-7)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2
InChIKeyBLSHSVGZCLHCJX-UHFFFAOYSA-N
XLogP2.70
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898515
1-(3-chloro-2-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897095
1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60899469
1-(3-chloro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60896301
1-(3-fluoro-5-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 79055249
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54298704

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60898964) is 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1cc(Cl)ccc1Cl)COc1cnsn1.
What is the InChIKey of 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is BLSHSVGZCLHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c12-7-1-2-9(13)10(3-7)14-4-8(17)6-18-11-5-15-19-16-11/h1-3,5,8,14,17H,4,6H2.
What are the key properties of 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 320.20 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60898964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).