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

C14H14N2O4S — CID 119194731

IUPAC2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1csc(-c2ccoc2)n1)C1CC1
InChIInChI=1S/C14H14N2O4S/c17-12(16(6-13(18)19)11-1-2-11)5-10-8-21-14(15-10)9-3-4-20-7-9/h3-4,7-8,11H,1-2,5-6H2,(H,18,19)
InChIKeyCXRBRZPTWCFPHE-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.02
Rot. Bonds6

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

2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 119194731) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID119194731
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1csc(-c2ccoc2)n1)C1CC1
InChIInChI=1S/C14H14N2O4S/c17-12(16(6-13(18)19)11-1-2-11)5-10-8-21-14(15-10)9-3-4-20-7-9/h3-4,7-8,11H,1-2,5-6H2,(H,18,19)
InChIKeyCXRBRZPTWCFPHE-UHFFFAOYSA-N
XLogP2.02
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119531441
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109399692
N-ethyl-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 109468234
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120817102
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119663090

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 119194731) is 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cc1csc(-c2ccoc2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is CXRBRZPTWCFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-12(16(6-13(18)19)11-1-2-11)5-10-8-21-14(15-10)9-3-4-20-7-9/h3-4,7-8,11H,1-2,5-6H2,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 306.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 119194731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).