ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate

C14H22N2O3S2 — CID 61022067

IUPACethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CSCc1csc(C)n1)C(C)C
InChIInChI=1S/C14H22N2O3S2/c1-5-19-14(18)6-16(10(2)3)13(17)9-20-7-12-8-21-11(4)15-12/h8,10H,5-7,9H2,1-4H3
InChIKeyBMLVGXVPYZNXKB-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.48
Rot. Bonds8

About ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate

ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate (PubChem CID 61022067) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate
PubChem CID61022067
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Nameethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)CSCc1csc(C)n1)C(C)C
InChIInChI=1S/C14H22N2O3S2/c1-5-19-14(18)6-16(10(2)3)13(17)9-20-7-12-8-21-11(4)15-12/h8,10H,5-7,9H2,1-4H3
InChIKeyBMLVGXVPYZNXKB-UHFFFAOYSA-N
XLogP2.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate with MolForge

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Related Compounds

ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 60678373
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]acetate
CID 47257401
ethyl 2-[(2-butylsulfanylacetyl)-propan-2-ylamino]acetate
CID 54900902
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 7131479
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]acetate
CID 60811261
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
CID 61021434
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
N-(2-hydroxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65110108
ethyl 2-[3-phenylprop-2-ynoyl(propan-2-yl)amino]acetate
CID 61021309
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate (CID 61022067) is ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)CSCc1csc(C)n1)C(C)C.
What is the InChIKey of ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate?
The InChIKey is BMLVGXVPYZNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-5-19-14(18)6-16(10(2)3)13(17)9-20-7-12-8-21-11(4)15-12/h8,10H,5-7,9H2,1-4H3.
What are the key properties of ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate has a molecular weight of 330.48 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).