N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide

C13H16N4O2S — CID 52906468

IUPACN-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NC3CCCCC3)n2)n1
InChIInChI=1S/C13H16N4O2S/c1-8-14-12(19-17-8)10-7-20-13(16-10)11(18)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,18)
InChIKeyLCHRMCRMYRXLBX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.56
Rot. Bonds3

About N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide

N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 52906468) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID52906468
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NC3CCCCC3)n2)n1
InChIInChI=1S/C13H16N4O2S/c1-8-14-12(19-17-8)10-7-20-13(16-10)11(18)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,18)
InChIKeyLCHRMCRMYRXLBX-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (CID 52906468) is N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is Cc1noc(-c2csc(C(=O)NC3CCCCC3)n2)n1.
What is the InChIKey of N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LCHRMCRMYRXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-14-12(19-17-8)10-7-20-13(16-10)11(18)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 52906468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).