N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C11H19N5O2S — CID 115357196

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19N5O2S/c1-5-12-10-16-15-9(19-10)8(18)13-6-7(17)14-11(2,3)4/h5-6H2,1-4H3,(H,12,16)(H,13,18)(H,14,17)
InChIKeyYLCAXHOGMQKNAZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.61
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 115357196) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID115357196
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19N5O2S/c1-5-12-10-16-15-9(19-10)8(18)13-6-7(17)14-11(2,3)4/h5-6H2,1-4H3,(H,12,16)(H,13,18)(H,14,17)
InChIKeyYLCAXHOGMQKNAZ-UHFFFAOYSA-N
XLogP0.61
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
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-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 115357196) is N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC(=O)NC(C)(C)C)s1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YLCAXHOGMQKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-5-12-10-16-15-9(19-10)8(18)13-6-7(17)14-11(2,3)4/h5-6H2,1-4H3,(H,12,16)(H,13,18)(H,14,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 115357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).