(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

C14H17N3O2S — CID 122049091

IUPAC(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1nnc(-c2ccccc2)s1)C(=O)O
InChIInChI=1S/C14H17N3O2S/c1-9(2)8-11(13(18)19)15-14-17-16-12(20-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyFBSKKXFJEGUPNH-LLVKDONJSA-N
MW291.38 g/mol
LogP3.12
Rot. Bonds6

About (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid

(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (PubChem CID 122049091) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
PubChem CID122049091
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1nnc(-c2ccccc2)s1)C(=O)O
InChIInChI=1S/C14H17N3O2S/c1-9(2)8-11(13(18)19)15-14-17-16-12(20-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyFBSKKXFJEGUPNH-LLVKDONJSA-N
XLogP3.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
2-bromo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123928348
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049216
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
2-[(4,5-dioxonaphtho[1,2-g][1,3]benzothiazol-2-yl)amino]-4-methylpentanoic acid
CID 177070569
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 122060563
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (CID 122049091) is (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is CC(C)C[C@@H](Nc1nnc(-c2ccccc2)s1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The InChIKey is FBSKKXFJEGUPNH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)8-11(13(18)19)15-14-17-16-12(20-14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid has a molecular weight of 291.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122049091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).