ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate

C10H13N5O2S — CID 79318244

IUPACethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCc1scnc1C
InChIInChI=1S/C10H13N5O2S/c1-3-17-10(16)9-12-13-14-15(9)5-4-8-7(2)11-6-18-8/h6H,3-5H2,1-2H3
InChIKeyVETAETDWRXKFHR-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.86
Rot. Bonds5

About ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate (PubChem CID 79318244) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate
PubChem CID79318244
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCc1scnc1C
InChIInChI=1S/C10H13N5O2S/c1-3-17-10(16)9-12-13-14-15(9)5-4-8-7(2)11-6-18-8/h6H,3-5H2,1-2H3
InChIKeyVETAETDWRXKFHR-UHFFFAOYSA-N
XLogP0.86
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-(2-pyridin-4-ylethyl)tetrazole-5-carboxylate
CID 79317617
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 1-[2-(4-methoxyphenyl)ethyl]tetrazole-5-carboxylate
CID 79318396
ethyl 1-(3,3-dimethylbutyl)tetrazole-5-carboxylate
CID 79317604
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
ethyl 1-(3-phenylpropyl)tetrazole-5-carboxylate
CID 79318081
methyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643957
ethyl 1-(3-hydroxy-3-methylbutyl)tetrazole-5-carboxylate
CID 79355947
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate
CID 79317376
ethyl 1-[2-(2-nitrophenyl)ethyl]tetrazole-5-carboxylate
CID 79309794
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
CID 79543224
(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55769227

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate (CID 79318244) is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CCc1scnc1C.
What is the InChIKey of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate?
The InChIKey is VETAETDWRXKFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-17-10(16)9-12-13-14-15(9)5-4-8-7(2)11-6-18-8/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate?
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79318244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).