ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate

C10H10N4O3S2 — CID 7576762

IUPACethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2snnc2C)n1
InChIInChI=1S/C10H10N4O3S2/c1-3-17-9(16)6-4-18-10(11-6)12-8(15)7-5(2)13-14-19-7/h4H,3H2,1-2H3,(H,11,12,15)
InChIKeyRLBAYYFPINKMOZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 7576762) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID7576762
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC Nameethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2snnc2C)n1
InChIInChI=1S/C10H10N4O3S2/c1-3-17-9(16)6-4-18-10(11-6)12-8(15)7-5(2)13-14-19-7/h4H,3H2,1-2H3,(H,11,12,15)
InChIKeyRLBAYYFPINKMOZ-UHFFFAOYSA-N
XLogP1.73
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 7576762) is ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2snnc2C)n1.
What is the InChIKey of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RLBAYYFPINKMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-3-17-9(16)6-4-18-10(11-6)12-8(15)7-5(2)13-14-19-7/h4H,3H2,1-2H3,(H,11,12,15).
What are the key properties of ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 298.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).