3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid

C8H10N2O3S — CID 20848632

IUPAC3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid
SMILESCc1ncsc1N(C=O)CCC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-6-8(14-4-9-6)10(5-11)3-2-7(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyZIERHHKABPIMQK-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.89
Rot. Bonds5

About 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid

3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid (PubChem CID 20848632) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid
PubChem CID20848632
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid
SMILESCc1ncsc1N(C=O)CCC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-6-8(14-4-9-6)10(5-11)3-2-7(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyZIERHHKABPIMQK-UHFFFAOYSA-N
XLogP0.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)propanoic acid
CID 60844375
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83062665
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
3-(N-formyl-4-propan-2-ylanilino)propanoic acid
CID 20848643
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
N-(4-methyl-1,3-thiazol-5-yl)-3-oxopropanamide
CID 175083454
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
3-[ethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butanoic acid
CID 55123962
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
CID 55261145
3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321156

Frequently Asked Questions

What is the IUPAC name of 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid (CID 20848632) is 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid is Cc1ncsc1N(C=O)CCC(=O)O.
What is the InChIKey of 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid?
The InChIKey is ZIERHHKABPIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-6-8(14-4-9-6)10(5-11)3-2-7(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid?
3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl-(4-methyl-1,3-thiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 20848632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).