(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid

C12H12N4O3S — CID 104874332

IUPAC(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1nsc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H12N4O3S/c1-7-13-12(20-16-7)15-11(19)14-9(10(17)18)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,17,18)(H2,13,14,15,16,19)/t9-/m1/s1
InChIKeySUQFSSMIAJUNQN-SECBINFHSA-N
MW292.32 g/mol
LogP1.79
Rot. Bonds4

About (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid

(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid (PubChem CID 104874332) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
PubChem CID104874332
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1nsc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C12H12N4O3S/c1-7-13-12(20-16-7)15-11(19)14-9(10(17)18)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,17,18)(H2,13,14,15,16,19)/t9-/m1/s1
InChIKeySUQFSSMIAJUNQN-SECBINFHSA-N
XLogP1.79
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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]-3-phenylpropanoic acid
CID 104902527
(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
CID 61193281
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
CID 61186265
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid (CID 104874332) is (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid is Cc1nsc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is SUQFSSMIAJUNQN-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-13-12(20-16-7)15-11(19)14-9(10(17)18)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,17,18)(H2,13,14,15,16,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid?
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 104874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).