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

C10H17N5O2S — CID 80617281

IUPAC5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C10H17N5O2S/c1-3-5-12-7(16)4-6-13-8(17)9-14-15-10(11-2)18-9/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)
InChIKeyWBLLNWKMXNICLF-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.23
Rot. Bonds7

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

5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617281) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617281
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C10H17N5O2S/c1-3-5-12-7(16)4-6-13-8(17)9-14-15-10(11-2)18-9/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17)
InChIKeyWBLLNWKMXNICLF-UHFFFAOYSA-N
XLogP0.23
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114004403
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617281) is 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is CCCNC(=O)CCNC(=O)c1nnc(NC)s1.
What is the InChIKey of 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WBLLNWKMXNICLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-3-5-12-7(16)4-6-13-8(17)9-14-15-10(11-2)18-9/h3-6H2,1-2H3,(H,11,15)(H,12,16)(H,13,17).
What are the key properties of 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).