2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide

C13H14N4O2S — CID 136579777

IUPAC2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1N1CCOCC1
InChIInChI=1S/C13H14N4O2S/c18-12(15-13-16-14-9-20-13)10-3-1-2-4-11(10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,16,18)
InChIKeyIYJBUTHTWBMDEQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds3

About 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide

2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 136579777) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID136579777
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccccc1N1CCOCC1
InChIInChI=1S/C13H14N4O2S/c18-12(15-13-16-14-9-20-13)10-3-1-2-4-11(10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,16,18)
InChIKeyIYJBUTHTWBMDEQ-UHFFFAOYSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-morpholin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
CID 56700772
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 131922121
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2-morpholin-4-ylbenzamide
CID 131939372
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
CID 71985097
N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 136579777) is 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IYJBUTHTWBMDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(15-13-16-14-9-20-13)10-3-1-2-4-11(10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,16,18).
What are the key properties of 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 290.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 136579777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).