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

C10H10N4O3S2 — CID 59799123

IUPACethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc(N)n2)n1
InChIInChI=1S/C10H10N4O3S2/c1-2-17-8(16)6-4-19-10(13-6)14-7(15)5-3-18-9(11)12-5/h3-4H,2H2,1H3,(H2,11,12)(H,13,14,15)
InChIKeyQDNNCWKXVNVCDA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.61
Rot. Bonds4

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

ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 59799123) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID59799123
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC Nameethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc(N)n2)n1
InChIInChI=1S/C10H10N4O3S2/c1-2-17-8(16)6-4-19-10(13-6)14-7(15)5-3-18-9(11)12-5/h3-4H,2H2,1H3,(H2,11,12)(H,13,14,15)
InChIKeyQDNNCWKXVNVCDA-UHFFFAOYSA-N
XLogP1.61
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 121167340
ethyl 2-[(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 75357207
ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55555267
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
ethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 42111324
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 59799123) is ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2csc(N)n2)n1.
What is the InChIKey of ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is QDNNCWKXVNVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-2-17-8(16)6-4-19-10(13-6)14-7(15)5-3-18-9(11)12-5/h3-4H,2H2,1H3,(H2,11,12)(H,13,14,15).
What are the key properties of ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 298.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59799123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).