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

C10H12N6O3S — CID 104895380

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid
SMILESCc1nnc(NC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)s1
InChIInChI=1S/C10H12N6O3S/c1-5-15-16-10(20-5)14-9(19)13-7(8(17)18)2-6-3-11-4-12-6/h3-4,7H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,16,19)/t7-/m1/s1
InChIKeyRAPGIZWIHKSJTI-SSDOTTSWSA-N
MW296.31 g/mol
LogP0.39
Rot. Bonds5

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

(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid (PubChem CID 104895380) has the molecular formula C10H12N6O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid
PubChem CID104895380
Molecular FormulaC10H12N6O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid
SMILESCc1nnc(NC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)s1
InChIInChI=1S/C10H12N6O3S/c1-5-15-16-10(20-5)14-9(19)13-7(8(17)18)2-6-3-11-4-12-6/h3-4,7H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,16,19)/t7-/m1/s1
InChIKeyRAPGIZWIHKSJTI-SSDOTTSWSA-N
XLogP0.39
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 104894957
(2S)-3-(1H-imidazol-5-yl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192360
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
(2S)-3-(1H-imidazol-5-yl)-2-(phenylcarbamoylamino)propanoic acid
CID 30052227
(2R)-4-amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 114005864
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 83113392
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
(2S)-4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873953
(2R)-3-(1H-imidazol-5-yl)-2-(3-methylbut-2-enylcarbamoylamino)propanoic acid
CID 106191581
3-(1H-imidazol-5-yl)-2-(3-oxobutylcarbamoylamino)propanoic acid
CID 118534669
(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbut-2-enylcarbamoylamino)propanoic acid
CID 106191443
(2S)-3-(1H-imidazol-5-yl)-2-(2-methylsulfanylethylcarbamoylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid (CID 104895380) is (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid is Cc1nnc(NC(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)s1.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid?
The InChIKey is RAPGIZWIHKSJTI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N6O3S/c1-5-15-16-10(20-5)14-9(19)13-7(8(17)18)2-6-3-11-4-12-6/h3-4,7H,2H2,1H3,(H,11,12)(H,17,18)(H2,13,14,16,19)/t7-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid has a molecular weight of 296.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 104895380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).