(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

C12H15N5O3S — CID 104894365

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H15N5O3S/c1-2-3-8-10(21-17-16-8)11(18)15-9(12(19)20)4-7-5-13-6-14-7/h5-6,9H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyJRAANMAVQRFORN-SECBINFHSA-N
MW309.35 g/mol
LogP0.64
Rot. Bonds7

About (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 104894365) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID104894365
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H15N5O3S/c1-2-3-8-10(21-17-16-8)11(18)15-9(12(19)20)4-7-5-13-6-14-7/h5-6,9H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyJRAANMAVQRFORN-SECBINFHSA-N
XLogP0.64
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic 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

(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
2-[(2-amino-2-ethylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869361
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 28742442
(2R)-2-[(3-bromothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894265
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
2-(2-ethylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 43184423
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
(2R)-2-[(3,5-dibromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107971712
3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
CID 16778480
(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 93306133
3-(1H-imidazol-5-yl)-2-[(4-methylthiophene-3-carbonyl)amino]propanoic acid
CID 79803400

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (CID 104894365) is (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is CCCc1nnsc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JRAANMAVQRFORN-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-2-3-8-10(21-17-16-8)11(18)15-9(12(19)20)4-7-5-13-6-14-7/h5-6,9H,2-4H2,1H3,(H,13,14)(H,15,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104894365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).