ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate

C14H17N3O2S — CID 17038813

IUPACethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc3c(c2C)CCCC3)n1
InChIInChI=1S/C14H17N3O2S/c1-3-19-13(18)12-8-20-14(15-12)17-9(2)10-6-4-5-7-11(10)16-17/h8H,3-7H2,1-2H3
InChIKeyUJODFJSJMCVSLB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 17038813) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID17038813
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc3c(c2C)CCCC3)n1
InChIInChI=1S/C14H17N3O2S/c1-3-19-13(18)12-8-20-14(15-12)17-9(2)10-6-4-5-7-11(10)16-17/h8H,3-7H2,1-2H3
InChIKeyUJODFJSJMCVSLB-UHFFFAOYSA-N
XLogP2.69
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
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ethyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3-thiazole-4-carboxylate
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ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylate
CID 80569291
ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate (CID 17038813) is ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc3c(c2C)CCCC3)n1.
What is the InChIKey of ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is UJODFJSJMCVSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-13(18)12-8-20-14(15-12)17-9(2)10-6-4-5-7-11(10)16-17/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 17038813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).