[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid

C11H13N2O6PS — CID 22280682

IUPAC[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESCOCc1sc(NC(C)=O)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C11H13N2O6PS/c1-6(14)12-11-13-9(8(21-11)5-18-2)10-7(3-4-19-10)20(15,16)17/h3-4H,5H2,1-2H3,(H,12,13,14)(H2,15,16,17)
InChIKeyWGATUMHINVEALC-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.31
Rot. Bonds5

About [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid

[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (PubChem CID 22280682) has the molecular formula C11H13N2O6PS and a molecular weight of 332.27 g/mol. Its IUPAC name is [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
PubChem CID22280682
Molecular FormulaC11H13N2O6PS
Molecular Weight332.27 g/mol
Exact Mass332.02
IUPAC Name[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESCOCc1sc(NC(C)=O)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C11H13N2O6PS/c1-6(14)12-11-13-9(8(21-11)5-18-2)10-7(3-4-19-10)20(15,16)17/h3-4H,5H2,1-2H3,(H,12,13,14)(H2,15,16,17)
InChIKeyWGATUMHINVEALC-UHFFFAOYSA-N
XLogP1.31
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280573
[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280679
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
CID 139950211
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
2-(3-bromofuran-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 106886087
tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
CID 23144787
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331

Frequently Asked Questions

What is the IUPAC name of [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The IUPAC name of [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (CID 22280682) is [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The canonical SMILES for [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is COCc1sc(NC(C)=O)nc1-c1occc1P(=O)(O)O.
What is the InChIKey of [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The InChIKey is WGATUMHINVEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O6PS/c1-6(14)12-11-13-9(8(21-11)5-18-2)10-7(3-4-19-10)20(15,16)17/h3-4H,5H2,1-2H3,(H,12,13,14)(H2,15,16,17).
What are the key properties of [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid has a molecular weight of 332.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).