(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid

C11H10N4O3S — CID 61193281

IUPAC(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
SMILESO=C(Nc1nncs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H10N4O3S/c16-9(17)8(7-4-2-1-3-5-7)13-10(18)14-11-15-12-6-19-11/h1-6,8H,(H,16,17)(H2,13,14,15,18)/t8-/m1/s1
InChIKeyWAEDNAZHQJOCSQ-MRVPVSSYSA-N
MW278.29 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid

(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid (PubChem CID 61193281) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
PubChem CID61193281
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
SMILESO=C(Nc1nncs1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H10N4O3S/c16-9(17)8(7-4-2-1-3-5-7)13-10(18)14-11-15-12-6-19-11/h1-6,8H,(H,16,17)(H2,13,14,15,18)/t8-/m1/s1
InChIKeyWAEDNAZHQJOCSQ-MRVPVSSYSA-N
XLogP1.49
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 62878500
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
CID 104874332
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
1-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51084625
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
1-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 97047933
(2S)-3-(1H-imidazol-5-yl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid (CID 61193281) is (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid is O=C(Nc1nncs1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid?
The InChIKey is WAEDNAZHQJOCSQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c16-9(17)8(7-4-2-1-3-5-7)13-10(18)14-11-15-12-6-19-11/h1-6,8H,(H,16,17)(H2,13,14,15,18)/t8-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid?
(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid has a molecular weight of 278.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 61193281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).