3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid

C7H11N3O2S — CID 91426781

IUPAC3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCNNc1ncc(CCC(=O)O)s1
InChIInChI=1S/C7H11N3O2S/c1-8-10-7-9-4-5(13-7)2-3-6(11)12/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyCPGAQWQHDZPHRU-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.71
Rot. Bonds5

About 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid

3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 91426781) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID91426781
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCNNc1ncc(CCC(=O)O)s1
InChIInChI=1S/C7H11N3O2S/c1-8-10-7-9-4-5(13-7)2-3-6(11)12/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyCPGAQWQHDZPHRU-UHFFFAOYSA-N
XLogP0.71
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(fluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84771017
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 122088969
3-[2-(5-bromofuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115091320
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
4-(2-bromo-1,3-thiazol-5-yl)butan-2-one
CID 133063627
5-(2-methyl-1,3-thiazol-5-yl)pentanoic acid
CID 21405586
3-[2-(1-acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid
CID 18682327
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82424704
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid (CID 91426781) is 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid is CNNc1ncc(CCC(=O)O)s1.
What is the InChIKey of 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is CPGAQWQHDZPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-8-10-7-9-4-5(13-7)2-3-6(11)12/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid?
3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 201.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 91426781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).