N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

C13H16N4O2S — CID 90602745

IUPACN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCc1nc(-c2nnc(NC(=O)C3CCCCC3)o2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8-14-10(7-20-8)12-16-17-13(19-12)15-11(18)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,17,18)
InChIKeyADUUPUGHQWKDKC-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.02
Rot. Bonds3

About N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide

N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 90602745) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID90602745
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCc1nc(-c2nnc(NC(=O)C3CCCCC3)o2)cs1
InChIInChI=1S/C13H16N4O2S/c1-8-14-10(7-20-8)12-16-17-13(19-12)15-11(18)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,17,18)
InChIKeyADUUPUGHQWKDKC-UHFFFAOYSA-N
XLogP3.02
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
(2R)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94658657
1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 52992827
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90602831
1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
CID 90602974
2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602820
2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]cyclopentanecarboxamide
CID 43973089
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 90602745) is N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is Cc1nc(-c2nnc(NC(=O)C3CCCCC3)o2)cs1.
What is the InChIKey of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is ADUUPUGHQWKDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-14-10(7-20-8)12-16-17-13(19-12)15-11(18)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 292.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90602745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).