2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

C10H15N3O3S — CID 65205844

IUPAC2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-6-7(17-13-12-6)8(14)11-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyJKFWILQINDYANN-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.08
Rot. Bonds5

About 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid

2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65205844) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65205844
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1nnsc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-6-7(17-13-12-6)8(14)11-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyJKFWILQINDYANN-UHFFFAOYSA-N
XLogP1.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 114315365
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-4-propylthiadiazole-5-carboxamide
CID 77059693
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-(1-chloro-2-methylpropan-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 114294992
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
4-methoxy-4-methyl-1-(4-propylthiadiazol-5-yl)pentan-1-one
CID 103024495
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65205844) is 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is CCCc1nnsc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JKFWILQINDYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-5-6-7(17-13-12-6)8(14)11-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid?
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).