N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C13H22N4OS — CID 80619130

IUPACN-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-2-14-13-17-16-12(19-13)11(18)15-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyNRJQVHCSVCHPEM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.81
Rot. Bonds4

About N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619130) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619130
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C13H22N4OS/c1-2-14-13-17-16-12(19-13)11(18)15-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyNRJQVHCSVCHPEM-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 106197790
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80619130) is N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC2CCCCCCC2)s1.
What is the InChIKey of N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NRJQVHCSVCHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-14-13-17-16-12(19-13)11(18)15-10-8-6-4-3-5-7-9-10/h10H,2-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).