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

C11H20N2O2S — CID 61499374

IUPACmethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C11H20N2O2S/c1-7(2)5-9-6-16-11(13-9)12-8(3)10(14)15-4/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyANEOVZPDODTQSG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.65
Rot. Bonds4

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

methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 61499374) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
PubChem CID61499374
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C11H20N2O2S/c1-7(2)5-9-6-16-11(13-9)12-8(3)10(14)15-4/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyANEOVZPDODTQSG-UHFFFAOYSA-N
XLogP1.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
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
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-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61499343
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (CID 61499374) is methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is COC(=O)C(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is ANEOVZPDODTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)5-9-6-16-11(13-9)12-8(3)10(14)15-4/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 244.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 61499374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).