4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

C10H10N4O3S2 — CID 80655852

IUPAC4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2cnns2)n1
InChIInChI=1S/C10H10N4O3S2/c15-8(16)3-1-2-6-5-18-10(12-6)13-9(17)7-4-11-14-19-7/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyNMMRJKNAOALGIH-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.65
Rot. Bonds6

About 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655852) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655852
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC Name4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2cnns2)n1
InChIInChI=1S/C10H10N4O3S2/c15-8(16)3-1-2-6-5-18-10(12-6)13-9(17)7-4-11-14-19-7/h4-5H,1-3H2,(H,15,16)(H,12,13,17)
InChIKeyNMMRJKNAOALGIH-UHFFFAOYSA-N
XLogP1.65
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 65215041
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655686
4-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655690
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655799
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656494

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80655852) is 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)c2cnns2)n1.
What is the InChIKey of 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is NMMRJKNAOALGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c15-8(16)3-1-2-6-5-18-10(12-6)13-9(17)7-4-11-14-19-7/h4-5H,1-3H2,(H,15,16)(H,12,13,17).
What are the key properties of 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 298.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).