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

C12H22N2O2S — CID 106284992

IUPACmethyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCC(CC)C1CN=C(NCCC(=O)OC)S1
InChIInChI=1S/C12H22N2O2S/c1-4-9(5-2)10-8-14-12(17-10)13-7-6-11(15)16-3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUUHIKULZDFNPSB-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.05
Rot. Bonds6

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

methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 106284992) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
PubChem CID106284992
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Namemethyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
SMILESCCC(CC)C1CN=C(NCCC(=O)OC)S1
InChIInChI=1S/C12H22N2O2S/c1-4-9(5-2)10-8-14-12(17-10)13-7-6-11(15)16-3/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyUUHIKULZDFNPSB-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-[[[C-[(3R)-4-fluoro-3-methylpentan-2-yl]sulfanyl-N-methylcarbonimidoyl]amino]methyl]pentanoate
CID 174177968
Methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61295197
Methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296568
Ethyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296665
methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 65036368
ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 65036618
Ethyl 2-(butylamino)-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 101899397
Methyl 3-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 106250281
Methyl 2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 106284866
N-(3-methoxypropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284919
3-[(5-Pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106284964
N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate (CID 106284992) is methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is CCC(CC)C1CN=C(NCCC(=O)OC)S1.
What is the InChIKey of methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is UUHIKULZDFNPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-9(5-2)10-8-14-12(17-10)13-7-6-11(15)16-3/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate?
methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 258.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 106284992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).