(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid

C11H9N3O3S — CID 103804690

IUPAC(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1csnn1
InChIInChI=1S/C11H9N3O3S/c15-10(8-6-18-14-13-8)12-9(11(16)17)7-4-2-1-3-5-7/h1-6,9H,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyLHIPCFQHKNOQRL-VIFPVBQESA-N
MW263.28 g/mol
LogP1.09
Rot. Bonds4

About (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid

(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid (PubChem CID 103804690) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
PubChem CID103804690
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1csnn1
InChIInChI=1S/C11H9N3O3S/c15-10(8-6-18-14-13-8)12-9(11(16)17)7-4-2-1-3-5-7/h1-6,9H,(H,12,15)(H,16,17)/t9-/m0/s1
InChIKeyLHIPCFQHKNOQRL-VIFPVBQESA-N
XLogP1.09
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-2-phenylacetic acid
CID 107971318
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
2-cyclopropyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 65214444
benzhydryl thiadiazole-4-carboxylate
CID 57265234
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 66390847
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 99702625
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
CID 65214697
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The IUPAC name of (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid (CID 103804690) is (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1csnn1.
What is the InChIKey of (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid?
The InChIKey is LHIPCFQHKNOQRL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(8-6-18-14-13-8)12-9(11(16)17)7-4-2-1-3-5-7/h1-6,9H,(H,12,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid?
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid has a molecular weight of 263.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid is sourced from PubChem (CID 103804690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).