2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate

C14H17N3O2S — CID 97223987

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
SMILESCc1ncsc1CCOC(=O)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C14H17N3O2S/c1-9-13(20-8-15-9)5-6-19-14(18)10-3-2-4-12-11(10)7-16-17-12/h7-8,10H,2-6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMWXOHIXGRONVPL-SNVBAGLBSA-N
MW291.38 g/mol
LogP2.38
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate

2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate (PubChem CID 97223987) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
PubChem CID97223987
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
SMILESCc1ncsc1CCOC(=O)[C@@H]1CCCc2[nH]ncc21
InChIInChI=1S/C14H17N3O2S/c1-9-13(20-8-15-9)5-6-19-14(18)10-3-2-4-12-11(10)7-16-17-12/h7-8,10H,2-6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyMWXOHIXGRONVPL-SNVBAGLBSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate with MolForge

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyridazin-6-one
CID 103240603
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
CID 114451058
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
CID 167666489
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methanol
CID 107373137

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate (CID 97223987) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate is Cc1ncsc1CCOC(=O)[C@@H]1CCCc2[nH]ncc21.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate?
The InChIKey is MWXOHIXGRONVPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-13(20-8-15-9)5-6-19-14(18)10-3-2-4-12-11(10)7-16-17-12/h7-8,10H,2-6H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate has a molecular weight of 291.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate is sourced from PubChem (CID 97223987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).