N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C17H20N4O2S — CID 52893396

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)no1
InChIInChI=1S/C17H20N4O2S/c1-9-2-13(21-23-9)14(22)18-16-20-19-15(24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h2,10-12H,3-8H2,1H3,(H,18,20,22)
InChIKeyPLRNUYJPYZZSLX-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.55
Rot. Bonds3

About N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 52893396) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID52893396
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)no1
InChIInChI=1S/C17H20N4O2S/c1-9-2-13(21-23-9)14(22)18-16-20-19-15(24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h2,10-12H,3-8H2,1H3,(H,18,20,22)
InChIKeyPLRNUYJPYZZSLX-UHFFFAOYSA-N
XLogP3.55
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51205142
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 112793296
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3520204
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 4147908
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651104
N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78802894
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1246159
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4193750
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756047
N-[5-[2-(ethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121029311
1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 2895163
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17421080

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 52893396) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)no1.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PLRNUYJPYZZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-9-2-13(21-23-9)14(22)18-16-20-19-15(24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h2,10-12H,3-8H2,1H3,(H,18,20,22).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52893396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).