2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid

C17H20N2O5S — CID 119214814

IUPAC2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3(CC(=O)O)CCOCC3)s2)o1
InChIInChI=1S/C17H20N2O5S/c1-10-3-4-12(24-10)16-18-11(2)14(25-16)15(22)19-17(9-13(20)21)5-7-23-8-6-17/h3-4H,5-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLWOUYLQHKOERGF-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214814) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119214814
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
SMILESCc1ccc(-c2nc(C)c(C(=O)NC3(CC(=O)O)CCOCC3)s2)o1
InChIInChI=1S/C17H20N2O5S/c1-10-3-4-12(24-10)16-18-11(2)14(25-16)15(22)19-17(9-13(20)21)5-7-23-8-6-17/h3-4H,5-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLWOUYLQHKOERGF-UHFFFAOYSA-N
XLogP2.77
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214688
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215709
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
2-[2-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241601
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 47939210
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 99578340

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid (CID 119214814) is 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid is Cc1ccc(-c2nc(C)c(C(=O)NC3(CC(=O)O)CCOCC3)s2)o1.
What is the InChIKey of 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is LWOUYLQHKOERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-10-3-4-12(24-10)16-18-11(2)14(25-16)15(22)19-17(9-13(20)21)5-7-23-8-6-17/h3-4H,5-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 364.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).