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

C9H14N4OS — CID 80616887

IUPACN-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CCC2)s1
InChIInChI=1S/C9H14N4OS/c1-2-10-9-13-12-8(15-9)7(14)11-6-4-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyNLRYYHXXMXKMJM-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.25
Rot. Bonds4

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

N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616887) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616887
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CCC2)s1
InChIInChI=1S/C9H14N4OS/c1-2-10-9-13-12-8(15-9)7(14)11-6-4-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeyNLRYYHXXMXKMJM-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
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-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
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-(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-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616887) is N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC2CCC2)s1.
What is the InChIKey of N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NLRYYHXXMXKMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-10-9-13-12-8(15-9)7(14)11-6-4-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).