4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid

C16H18N2O4S — CID 119229272

IUPAC4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N2O4S/c19-14(17-12-3-1-10(2-4-12)16(20)21)7-13-9-23-15(18-13)11-5-6-22-8-11/h5-6,8-10,12H,1-4,7H2,(H,17,19)(H,20,21)
InChIKeyPFTKLYORYFGTTL-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.71
Rot. Bonds5

About 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229272) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229272
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1csc(-c2ccoc2)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H18N2O4S/c19-14(17-12-3-1-10(2-4-12)16(20)21)7-13-9-23-15(18-13)11-5-6-22-8-11/h5-6,8-10,12H,1-4,7H2,(H,17,19)(H,20,21)
InChIKeyPFTKLYORYFGTTL-UHFFFAOYSA-N
XLogP2.71
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060
2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119194731
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111435984
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229272) is 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1csc(-c2ccoc2)n1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PFTKLYORYFGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-14(17-12-3-1-10(2-4-12)16(20)21)7-13-9-23-15(18-13)11-5-6-22-8-11/h5-6,8-10,12H,1-4,7H2,(H,17,19)(H,20,21).
What are the key properties of 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).