2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

C11H10N2O4S — CID 16771840

IUPAC2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1occc1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H10N2O4S/c1-6-8(2-3-17-6)10(16)13-11-12-7(5-18-11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNPFJVLUVGXJMQV-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 16771840) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID16771840
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1occc1C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H10N2O4S/c1-6-8(2-3-17-6)10(16)13-11-12-7(5-18-11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyNPFJVLUVGXJMQV-UHFFFAOYSA-N
XLogP1.92
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 16771840) is 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1occc1C(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NPFJVLUVGXJMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-6-8(2-3-17-6)10(16)13-11-12-7(5-18-11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 266.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 16771840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).