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

C13H14ClN3O2S — CID 122060563

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nnc(-c2ccccc2Cl)s1)C(=O)O
InChIInChI=1S/C13H14ClN3O2S/c1-2-5-10(12(18)19)15-13-17-16-11(20-13)8-6-3-4-7-9(8)14/h3-4,6-7,10H,2,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyGNPZHWDKVBOLDN-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.52
Rot. Bonds6

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

2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid (PubChem CID 122060563) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
PubChem CID122060563
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nnc(-c2ccccc2Cl)s1)C(=O)O
InChIInChI=1S/C13H14ClN3O2S/c1-2-5-10(12(18)19)15-13-17-16-11(20-13)8-6-3-4-7-9(8)14/h3-4,6-7,10H,2,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyGNPZHWDKVBOLDN-UHFFFAOYSA-N
XLogP3.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(diethylamino)pentanamide
CID 19256797
2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122060590
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
(2R)-4-methyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122049091
3-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 122064778
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
(2S)-2-anilinopentanoic acid
CID 22847649
2-(2-phenylanilino)pentanoic acid
CID 83037413
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
5-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133467240
(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid (CID 122060563) is 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid is CCCC(Nc1nnc(-c2ccccc2Cl)s1)C(=O)O.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid?
The InChIKey is GNPZHWDKVBOLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-2-5-10(12(18)19)15-13-17-16-11(20-13)8-6-3-4-7-9(8)14/h3-4,6-7,10H,2,5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid?
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid has a molecular weight of 311.79 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid is sourced from PubChem (CID 122060563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).