1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C11H12ClN3O2S — CID 60898515

IUPAC1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1ccc(Cl)cc1)COc1cnsn1
InChIInChI=1S/C11H12ClN3O2S/c12-8-1-3-9(4-2-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2
InChIKeyUSUUTRDAWAPVMD-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.04
Rot. Bonds6

About 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60898515) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60898515
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESOC(CNc1ccc(Cl)cc1)COc1cnsn1
InChIInChI=1S/C11H12ClN3O2S/c12-8-1-3-9(4-2-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2
InChIKeyUSUUTRDAWAPVMD-UHFFFAOYSA-N
XLogP2.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60896301
1-(2,5-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898964
1-(4-bromo-2,6-dichloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60899469
1-(3-chloro-2-methylanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897095
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-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(1-methoxypropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60898042
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60898515) is 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is OC(CNc1ccc(Cl)cc1)COc1cnsn1.
What is the InChIKey of 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is USUUTRDAWAPVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-8-1-3-9(4-2-8)13-5-10(16)7-17-11-6-14-18-15-11/h1-4,6,10,13,16H,5,7H2.
What are the key properties of 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 285.76 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroanilino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60898515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).