5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

C19H20N6O2S — CID 68684834

IUPAC5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCSCC4)nc3)o2)c1
InChIInChI=1S/C19H20N6O2S/c1-13-3-2-4-14(11-13)22-19-24-23-18(27-19)17(26)21-15-5-6-16(20-12-15)25-7-9-28-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,21,26)(H,22,24)
InChIKeyHCMWSAVXJPFDNG-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.32
Rot. Bonds5

About 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 68684834) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID68684834
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCSCC4)nc3)o2)c1
InChIInChI=1S/C19H20N6O2S/c1-13-3-2-4-14(11-13)22-19-24-23-18(27-19)17(26)21-15-5-6-16(20-12-15)25-7-9-28-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,21,26)(H,22,24)
InChIKeyHCMWSAVXJPFDNG-UHFFFAOYSA-N
XLogP3.32
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11625416
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464215
methyl 2-[1-[5-[[5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 91264909
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 59464337
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 68684834) is 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCSCC4)nc3)o2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HCMWSAVXJPFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13-3-2-4-14(11-13)22-19-24-23-18(27-19)17(26)21-15-5-6-16(20-12-15)25-7-9-28-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,21,26)(H,22,24).
What are the key properties of 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 68684834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).