2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

C14H18ClN3O2S — CID 133472972

IUPAC2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCCc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3O2S/c1-14(19,10-4-3-5-11(15)8-10)9-16-13-17-12(18-21-13)6-7-20-2/h3-5,8,19H,6-7,9H2,1-2H3,(H,16,17,18)
InChIKeyRDOLZLNENUJKAH-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.70
Rot. Bonds7

About 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol

2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 133472972) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID133472972
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCOCCc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3O2S/c1-14(19,10-4-3-5-11(15)8-10)9-16-13-17-12(18-21-13)6-7-20-2/h3-5,8,19H,6-7,9H2,1-2H3,(H,16,17,18)
InChIKeyRDOLZLNENUJKAH-UHFFFAOYSA-N
XLogP2.70
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-(3-chlorophenyl)-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473007
2-(3-chlorophenyl)-1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 133473051
2-(3-chlorophenyl)-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propan-2-ol
CID 133473114
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
CID 133473147
N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133358278
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133335446
1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 133472972) is 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is COCCc1nsc(NCC(C)(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is RDOLZLNENUJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-14(19,10-4-3-5-11(15)8-10)9-16-13-17-12(18-21-13)6-7-20-2/h3-5,8,19H,6-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol has a molecular weight of 327.84 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 133472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).