ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate

C13H20N2O2S2 — CID 103065161

IUPACethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1csc(NC2CCSC2)n1
InChIInChI=1S/C13H20N2O2S2/c1-4-17-11(16)13(2,3)10-8-19-12(15-10)14-9-5-6-18-7-9/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyIPHHMDHYLPDSRB-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.90
Rot. Bonds5

About ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate

ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 103065161) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID103065161
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Nameethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1csc(NC2CCSC2)n1
InChIInChI=1S/C13H20N2O2S2/c1-4-17-11(16)13(2,3)10-8-19-12(15-10)14-9-5-6-18-7-9/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyIPHHMDHYLPDSRB-UHFFFAOYSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-2-[2-(thiolan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107298660
ethyl 2-[2-[(2-methoxy-2-methylpropyl)amino]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 104766936
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
2-methyl-2-[2-(thiolan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 107298664
ethyl 2-methyl-2-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 106411445
ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 103064920
ethyl 2-methyl-2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106411506
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethyl 2-amino-5-(thiolan-3-ylamino)pyridine-4-carboxylate
CID 114195432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate (CID 103065161) is ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate is CCOC(=O)C(C)(C)c1csc(NC2CCSC2)n1.
What is the InChIKey of ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is IPHHMDHYLPDSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-4-17-11(16)13(2,3)10-8-19-12(15-10)14-9-5-6-18-7-9/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate?
ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 300.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(thiolan-3-ylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).