2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid

C11H15N3O3S — CID 63826114

IUPAC2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESO=C(NCCc1cscn1)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3S/c15-10(16)9(7-1-2-7)14-11(17)12-4-3-8-5-18-6-13-8/h5-7,9H,1-4H2,(H,15,16)(H2,12,14,17)
InChIKeyXAXVUIKKTZJLMF-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.85
Rot. Bonds6

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

2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid (PubChem CID 63826114) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
PubChem CID63826114
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
SMILESO=C(NCCc1cscn1)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H15N3O3S/c15-10(16)9(7-1-2-7)14-11(17)12-4-3-8-5-18-6-13-8/h5-7,9H,1-4H2,(H,15,16)(H2,12,14,17)
InChIKeyXAXVUIKKTZJLMF-UHFFFAOYSA-N
XLogP0.85
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63824705
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
(2S)-2-hydroxy-4-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 107840016
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
CID 55174649
(2S)-4-methylsulfanyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 63823624
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75429969
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353862
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid (CID 63826114) is 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid is O=C(NCCc1cscn1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is XAXVUIKKTZJLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-10(16)9(7-1-2-7)14-11(17)12-4-3-8-5-18-6-13-8/h5-7,9H,1-4H2,(H,15,16)(H2,12,14,17).
What are the key properties of 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 269.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 63826114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).