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

C12H22N2O2S — CID 54960238

IUPACethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H22N2O2S/c1-5-16-11(15)9(4)13-12-14-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyGEDCALBWFIJIKQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.05
Rot. Bonds5

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

ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 54960238) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
PubChem CID54960238
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Nameethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C12H22N2O2S/c1-5-16-11(15)9(4)13-12-14-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyGEDCALBWFIJIKQ-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Methyl 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-3-methylbutanoate
CID 55171413
N-(1-methoxypropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246534
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
Ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61498977
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499026
Ethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499027
Methyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499344
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499372
Methyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499373
Methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 61499374
Methyl 3-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]butanoate
CID 61666815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (CID 54960238) is ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is CCOC(=O)C(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is GEDCALBWFIJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-16-11(15)9(4)13-12-14-10(7-17-12)6-8(2)3/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 258.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 54960238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).