ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

C11H13N5O3S — CID 106283542

IUPACethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC(C)c2ncn[nH]2)cs1
InChIInChI=1S/C11H13N5O3S/c1-3-19-11(18)10-15-7(4-20-10)9(17)14-6(2)8-12-5-13-16-8/h4-6H,3H2,1-2H3,(H,14,17)(H,12,13,16)
InChIKeyRZMKILUBOZRYRZ-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.93
Rot. Bonds5

About ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 106283542) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID106283542
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Nameethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC(C)c2ncn[nH]2)cs1
InChIInChI=1S/C11H13N5O3S/c1-3-19-11(18)10-15-7(4-20-10)9(17)14-6(2)8-12-5-13-16-8/h4-6H,3H2,1-2H3,(H,14,17)(H,12,13,16)
InChIKeyRZMKILUBOZRYRZ-UHFFFAOYSA-N
XLogP0.93
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
ethyl 4-[1-(1H-imidazol-2-yl)propylcarbamoyl]-1,3-thiazole-2-carboxylate
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ethyl 4-(pent-1-yn-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106232865
ethyl 4-(4-methylsulfinylbutan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
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ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698071
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103716600
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
ethyl 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-oxazole-4-carboxylate
CID 106282826
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (CID 106283542) is ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NC(C)c2ncn[nH]2)cs1.
What is the InChIKey of ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is RZMKILUBOZRYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-3-19-11(18)10-15-7(4-20-10)9(17)14-6(2)8-12-5-13-16-8/h4-6H,3H2,1-2H3,(H,14,17)(H,12,13,16).
What are the key properties of ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 106283542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).