2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C9H8N4O3S2 — CID 66378842

IUPAC2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1cnns1)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H8N4O3S2/c1-4(8-12-5(3-17-8)9(15)16)11-7(14)6-2-10-13-18-6/h2-4H,1H3,(H,11,14)(H,15,16)
InChIKeyVFTRDAODDHZCDB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66378842) has the molecular formula C9H8N4O3S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66378842
Molecular FormulaC9H8N4O3S2
Molecular Weight284.32 g/mol
Exact Mass284.00
IUPAC Name2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)c1cnns1)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H8N4O3S2/c1-4(8-12-5(3-17-8)9(15)16)11-7(14)6-2-10-13-18-6/h2-4H,1H3,(H,11,14)(H,15,16)
InChIKeyVFTRDAODDHZCDB-UHFFFAOYSA-N
XLogP1.18
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374400
2-[(1S)-1-[[2-[(1S)-1-[[2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720233
2-[1-[(2-amino-4-bromobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79706195
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(2,5-dibromothiophene-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107949317
2-[1-[(5-bromopyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380991
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374402
2-[1-[(6-oxo-1H-pyridazine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380210

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66378842) is 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)c1cnns1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VFTRDAODDHZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S2/c1-4(8-12-5(3-17-8)9(15)16)11-7(14)6-2-10-13-18-6/h2-4H,1H3,(H,11,14)(H,15,16).
What are the key properties of 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66378842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).