ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate

C14H21N3O5S — CID 16751380

IUPACethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H21N3O5S/c1-5-21-11(19)6-9-8-23-12(16-9)17-10(18)7-15-13(20)22-14(2,3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyVUGHGZHHAVTTPV-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.71
Rot. Bonds6

About ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 16751380) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID16751380
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Nameethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H21N3O5S/c1-5-21-11(19)6-9-8-23-12(16-9)17-10(18)7-15-13(20)22-14(2,3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyVUGHGZHHAVTTPV-UHFFFAOYSA-N
XLogP1.71
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 16751380) is ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VUGHGZHHAVTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-5-21-11(19)6-9-8-23-12(16-9)17-10(18)7-15-13(20)22-14(2,3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 343.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16751380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).