2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid

C8H9N3O3S — CID 65214444

IUPAC2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1csnn1
InChIInChI=1S/C8H9N3O3S/c12-7(5-3-15-11-10-5)9-6(8(13)14)4-1-2-4/h3-4,6H,1-2H2,(H,9,12)(H,13,14)
InChIKeyKNFMJIFQAQKRPZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.13
Rot. Bonds4

About 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid

2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid (PubChem CID 65214444) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
PubChem CID65214444
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1csnn1
InChIInChI=1S/C8H9N3O3S/c12-7(5-3-15-11-10-5)9-6(8(13)14)4-1-2-4/h3-4,6H,1-2H2,(H,9,12)(H,13,14)
InChIKeyKNFMJIFQAQKRPZ-UHFFFAOYSA-N
XLogP0.13
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 138036512
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 62694960
2-cyclopropyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetic acid
CID 62697253
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid (CID 65214444) is 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)c1csnn1.
What is the InChIKey of 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The InChIKey is KNFMJIFQAQKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-7(5-3-15-11-10-5)9-6(8(13)14)4-1-2-4/h3-4,6H,1-2H2,(H,9,12)(H,13,14).
What are the key properties of 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid?
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid has a molecular weight of 227.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid is sourced from PubChem (CID 65214444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).