2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid

C11H14N2O3S — CID 79264506

IUPAC2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H14N2O3S/c1-3-4-13(6-11(15)16)10(14)5-9-7-17-8(2)12-9/h3,7H,1,4-6H2,2H3,(H,15,16)
InChIKeyDXGBPUWDDDDOMC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.09
Rot. Bonds6

About 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid

2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79264506) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
PubChem CID79264506
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Cc1csc(C)n1
InChIInChI=1S/C11H14N2O3S/c1-3-4-13(6-11(15)16)10(14)5-9-7-17-8(2)12-9/h3,7H,1,4-6H2,2H3,(H,15,16)
InChIKeyDXGBPUWDDDDOMC-UHFFFAOYSA-N
XLogP1.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]acetic acid
CID 79276363
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
N-(furan-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylacetamide
CID 50948449
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
CID 60825782
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 107438329
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 55008249
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 79262056

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid (CID 79264506) is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)Cc1csc(C)n1.
What is the InChIKey of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is DXGBPUWDDDDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-4-13(6-11(15)16)10(14)5-9-7-17-8(2)12-9/h3,7H,1,4-6H2,2H3,(H,15,16).
What are the key properties of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid?
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 254.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).