ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C11H12N4O3S2 — CID 39032922

IUPACethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2snnc2C)n1
InChIInChI=1S/C11H12N4O3S2/c1-3-18-8(16)4-7-5-19-11(12-7)13-10(17)9-6(2)14-15-20-9/h5H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyBHUZVBDVEBIWBM-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.66
Rot. Bonds5

About ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 39032922) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID39032922
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Nameethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2snnc2C)n1
InChIInChI=1S/C11H12N4O3S2/c1-3-18-8(16)4-7-5-19-11(12-7)13-10(17)9-6(2)14-15-20-9/h5H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyBHUZVBDVEBIWBM-UHFFFAOYSA-N
XLogP1.66
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 29283666
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CID 29283675
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CID 29289643
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CID 39966233
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CID 43242164
CID 43242164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 39032922) is ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2snnc2C)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is BHUZVBDVEBIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-3-18-8(16)4-7-5-19-11(12-7)13-10(17)9-6(2)14-15-20-9/h5H,3-4H2,1-2H3,(H,12,13,17).
What are the key properties of ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 312.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 39032922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).