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

C12H22N4OS — CID 114101851

IUPAC5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)(C)C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-6-13-11-16-15-10(18-11)9(17)14-7-12(4,5)8(2)3/h8H,6-7H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyUHMNCXUXAAOOMF-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds6

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

5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114101851) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114101851
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(C)(C)C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-6-13-11-16-15-10(18-11)9(17)14-7-12(4,5)8(2)3/h8H,6-7H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyUHMNCXUXAAOOMF-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617001
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114180965
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 114101851) is 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC(C)(C)C(C)C)s1.
What is the InChIKey of 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UHMNCXUXAAOOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-6-13-11-16-15-10(18-11)9(17)14-7-12(4,5)8(2)3/h8H,6-7H2,1-5H3,(H,13,16)(H,14,17).
What are the key properties of 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114101851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).