2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid

C14H16N2O4S — CID 119198555

IUPAC2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(-c2nc(C(=O)N(CC(=O)O)C(C)C)cs2)o1
InChIInChI=1S/C14H16N2O4S/c1-8(2)16(6-12(17)18)14(19)10-7-21-13(15-10)11-5-4-9(3)20-11/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyAEHWMRUWHCVLCL-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.65
Rot. Bonds5

About 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid

2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198555) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198555
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(-c2nc(C(=O)N(CC(=O)O)C(C)C)cs2)o1
InChIInChI=1S/C14H16N2O4S/c1-8(2)16(6-12(17)18)14(19)10-7-21-13(15-10)11-5-4-9(3)20-11/h4-5,7-8H,6H2,1-3H3,(H,17,18)
InChIKeyAEHWMRUWHCVLCL-UHFFFAOYSA-N
XLogP2.65
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid (CID 119198555) is 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid is Cc1ccc(-c2nc(C(=O)N(CC(=O)O)C(C)C)cs2)o1.
What is the InChIKey of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is AEHWMRUWHCVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-8(2)16(6-12(17)18)14(19)10-7-21-13(15-10)11-5-4-9(3)20-11/h4-5,7-8H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid?
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).