ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate

C10H16N2O2S — CID 63296343

IUPACethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H16N2O2S/c1-2-14-9(13)6-12-10-11-5-8(15-10)7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyBBLSNITWXFJXRY-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.02
Rot. Bonds4

About ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate

ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (PubChem CID 63296343) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
PubChem CID63296343
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C10H16N2O2S/c1-2-14-9(13)6-12-10-11-5-8(15-10)7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyBBLSNITWXFJXRY-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate with MolForge

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Related Compounds

Ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 54960238
Methyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanoate
CID 55171413
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 60810970
Methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 61499374
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296247
Methyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296252
Ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296253
5-cyclopropyl-N-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296526
5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296576
N-(2-butoxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296577
Ethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296665
5-cyclopropyl-N-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate (CID 63296343) is ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)CNC1=NCC(C2CC2)S1.
What is the InChIKey of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is BBLSNITWXFJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-14-9(13)6-12-10-11-5-8(15-10)7-3-4-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 63296343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).