5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide

C11H19N5O2S — CID 80617199

IUPAC5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nnc(NCC)s1
InChIInChI=1S/C11H19N5O2S/c1-3-6-13-8(17)5-7-14-9(18)10-15-16-11(19-10)12-4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyUSXNXGGOAGEAEU-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.62
Rot. Bonds8

About 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617199) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617199
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nnc(NCC)s1
InChIInChI=1S/C11H19N5O2S/c1-3-6-13-8(17)5-7-14-9(18)10-15-16-11(19-10)12-4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyUSXNXGGOAGEAEU-UHFFFAOYSA-N
XLogP0.62
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
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-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
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

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617199) is 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is CCCNC(=O)CCNC(=O)c1nnc(NCC)s1.
What is the InChIKey of 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is USXNXGGOAGEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-6-13-8(17)5-7-14-9(18)10-15-16-11(19-10)12-4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17)(H,14,18).
What are the key properties of 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).