2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid

C14H18N2O3S — CID 43619497

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1csc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-3-6-14(2,13(17)18)15-8-10-9-20-12(16-10)11-5-4-7-19-11/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyAGRIPNPNIGKJFE-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.14
Rot. Bonds7

About 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid (PubChem CID 43619497) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
PubChem CID43619497
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1csc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-3-6-14(2,13(17)18)15-8-10-9-20-12(16-10)11-5-4-7-19-11/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyAGRIPNPNIGKJFE-UHFFFAOYSA-N
XLogP3.14
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
cis-methyl (1R,2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]cycloheptane-1-carboxylate
CID 97307342
tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
CID 166392197
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid (CID 43619497) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1csc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid?
The InChIKey is AGRIPNPNIGKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-6-14(2,13(17)18)15-8-10-9-20-12(16-10)11-5-4-7-19-11/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid has a molecular weight of 294.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).