4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid

C12H19N3O3S — CID 65214664

IUPAC4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)c1csnn1)CCC(=O)O
InChIInChI=1S/C12H19N3O3S/c1-2-3-9(4-5-11(16)17)6-7-13-12(18)10-8-19-15-14-10/h8-9H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyLBANWXNYKNQINH-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.94
Rot. Bonds9

About 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid

4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid (PubChem CID 65214664) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
PubChem CID65214664
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)c1csnn1)CCC(=O)O
InChIInChI=1S/C12H19N3O3S/c1-2-3-9(4-5-11(16)17)6-7-13-12(18)10-8-19-15-14-10/h8-9H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyLBANWXNYKNQINH-UHFFFAOYSA-N
XLogP1.94
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl]heptanoic acid
CID 65199713
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
(2R)-2-(thiadiazole-4-carbonylamino)hexanedioic acid
CID 114006173
6-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-ethylhexanoic acid
CID 66390146
N-hex-1-yn-3-ylthiadiazole-4-carboxamide
CID 103529036
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856
N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
CID 82993492
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
N-(2-sulfamoylethyl)thiadiazole-4-carboxamide
CID 65215862

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid?
The IUPAC name of 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid (CID 65214664) is 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid?
The canonical SMILES for 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid is CCCC(CCNC(=O)c1csnn1)CCC(=O)O.
What is the InChIKey of 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid?
The InChIKey is LBANWXNYKNQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-3-9(4-5-11(16)17)6-7-13-12(18)10-8-19-15-14-10/h8-9H,2-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid?
4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiadiazole-4-carbonylamino)ethyl]heptanoic acid is sourced from PubChem (CID 65214664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).