methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C14H11N3O3S3 — CID 18103769

IUPACmethyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C14H11N3O3S3/c1-20-13(19)10-6-15-14(23-10)17-11(18)5-8-7-22-12(16-8)9-3-2-4-21-9/h2-4,6-7H,5H2,1H3,(H,15,17,18)
InChIKeyGAOBGTSFYJGYGX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.30
Rot. Bonds5

About methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103769) has the molecular formula C14H11N3O3S3 and a molecular weight of 365.46 g/mol. Its IUPAC name is methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18103769
Molecular FormulaC14H11N3O3S3
Molecular Weight365.46 g/mol
Exact Mass365.00
IUPAC Namemethyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)Cc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C14H11N3O3S3/c1-20-13(19)10-6-15-14(23-10)17-11(18)5-8-7-22-12(16-8)9-3-2-4-21-9/h2-4,6-7H,5H2,1H3,(H,15,17,18)
InChIKeyGAOBGTSFYJGYGX-UHFFFAOYSA-N
XLogP3.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18103769) is methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)Cc2csc(-c3cccs3)n2)s1.
What is the InChIKey of methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is GAOBGTSFYJGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S3/c1-20-13(19)10-6-15-14(23-10)17-11(18)5-8-7-22-12(16-8)9-3-2-4-21-9/h2-4,6-7H,5H2,1H3,(H,15,17,18).
What are the key properties of methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).