2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid

C14H16N2O4S — CID 65215285

IUPAC2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1csc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-8(2)9(14(18)19)6-15-12(17)10-7-21-13(16-10)11-4-3-5-20-11/h3-5,7-9H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAZHDRLGIAZVWOK-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.49
Rot. Bonds6

About 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid

2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65215285) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65215285
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1csc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-8(2)9(14(18)19)6-15-12(17)10-7-21-13(16-10)11-4-3-5-20-11/h3-5,7-9H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyAZHDRLGIAZVWOK-UHFFFAOYSA-N
XLogP2.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 51089742
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid (CID 65215285) is 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)c1csc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is AZHDRLGIAZVWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-8(2)9(14(18)19)6-15-12(17)10-7-21-13(16-10)11-4-3-5-20-11/h3-5,7-9H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid?
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.49, 6 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-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65215285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).