2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid

C12H17N3O3S — CID 65204499

IUPAC2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-6(2)8-9(19-15-14-8)10(16)13-12(3,11(17)18)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyGJIRNTDDXGVPFV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.64
Rot. Bonds5

About 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 65204499) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID65204499
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1nnsc1C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C12H17N3O3S/c1-6(2)8-9(19-15-14-8)10(16)13-12(3,11(17)18)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyGJIRNTDDXGVPFV-UHFFFAOYSA-N
XLogP1.64
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
CID 60693506
2-[(4-Tert-butylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791678
3,3,3-Trifluoro-2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795303
3,3,3-Trifluoro-2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795472
2-[(4-Ethylthiadiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796324
2-Cyclopropyl-2-[(4-methyl-1,2,3-thiadiazol-5-yl)formamido]propanoic acid
CID 43162998
2-Methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 43619095
1-[(4-Ethylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 60749205
1-[(4-Ethylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60750085
Methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate
CID 60758601
1-[(4-Ethylthiadiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 62031918
1-[(4-Ethylthiadiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 62032054

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid (CID 65204499) is 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is CC(C)c1nnsc1C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is GJIRNTDDXGVPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-6(2)8-9(19-15-14-8)10(16)13-12(3,11(17)18)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65204499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).