ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

C15H13ClN2O2S — CID 68753282

IUPACethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3
InChIKeyBCVYXCPXEVFRTL-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.43
Rot. Bonds3

About ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 68753282) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID68753282
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Nameethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C
InChIInChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3
InChIKeyBCVYXCPXEVFRTL-UHFFFAOYSA-N
XLogP4.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-(3-cyano-1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 68753632
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17016505
ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135737466
ethyl 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 3824379
ethyl 4-methyl-2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 47061933
ethyl 4-methyl-2-[3-methyl-5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66645098
ethyl 4-methyl-2-[4-(2-trimethylsilylethynyl)phenyl]-1,3-thiazole-5-carboxylate
CID 23563115
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 66832036
ethyl 2-(3-amino-1-cyclopentyl-2-methylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 70221313
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 68753282) is ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc3[nH]cc(Cl)c3c2)nc1C.
What is the InChIKey of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BCVYXCPXEVFRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-3-20-15(19)13-8(2)18-14(21-13)9-4-5-12-10(6-9)11(16)7-17-12/h4-7,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 320.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68753282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).