3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H16Cl2N4O2S — CID 71946418

IUPAC3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N4O2S/c16-11-2-1-10(9-12(11)17)14(22)18-15-20-19-13(24-15)3-4-21-5-7-23-8-6-21/h1-2,9H,3-8H2,(H,18,20,22)
InChIKeyGAFWIBUUFATABO-UHFFFAOYSA-N
MW387.29 g/mol
LogP2.97
Rot. Bonds5

About 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 71946418) has the molecular formula C15H16Cl2N4O2S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID71946418
Molecular FormulaC15H16Cl2N4O2S
Molecular Weight387.29 g/mol
Exact Mass386.04
IUPAC Name3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N4O2S/c16-11-2-1-10(9-12(11)17)14(22)18-15-20-19-13(24-15)3-4-21-5-7-23-8-6-21/h1-2,9H,3-8H2,(H,18,20,22)
InChIKeyGAFWIBUUFATABO-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946415
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
2-(1,2-benzoxazol-3-yl)-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 157013975
N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-3,4-dichlorobenzamide
CID 17193233
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3,4-dichlorobenzamide
CID 17319973
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155912188
3,4-dichloro-N-[2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]benzamide
CID 78875092
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 162630847
3,4,5-trimethoxy-N-[5-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5209711
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 71946418) is 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCN2CCOCC2)s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GAFWIBUUFATABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2S/c16-11-2-1-10(9-12(11)17)14(22)18-15-20-19-13(24-15)3-4-21-5-7-23-8-6-21/h1-2,9H,3-8H2,(H,18,20,22).
What are the key properties of 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 387.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 71946418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).