methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

C15H12N2O4S — CID 156515469

IUPACmethyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C15H12N2O4S/c1-20-8-3-4-9-10(6-16-11(9)5-8)13(18)14-17-12(7-22-14)15(19)21-2/h3-7,16H,1-2H3
InChIKeyZLVCEIIORTZKOE-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 156515469) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
PubChem CID156515469
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Namemethyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(=O)c2c[nH]c3cc(OC)ccc23)n1
InChIInChI=1S/C15H12N2O4S/c1-20-8-3-4-9-10(6-16-11(9)5-8)13(18)14-17-12(7-22-14)15(19)21-2/h3-7,16H,1-2H3
InChIKeyZLVCEIIORTZKOE-UHFFFAOYSA-N
XLogP2.65
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-[hydroxy(iodosyl)amino]-1H-indole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 156795876
methyl 2-(7-cyano-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 147153796
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
methyl 2-[(Z)-C-(1H-indol-3-yl)-N-(methanesulfonamido)carbonimidoyl]-1,3-thiazole-4-carboxylate
CID 139497197
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
(4-ethylsulfanyl-1,3-thiazol-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 156529338
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate (CID 156515469) is methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C(=O)c2c[nH]c3cc(OC)ccc23)n1.
What is the InChIKey of methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZLVCEIIORTZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-20-8-3-4-9-10(6-16-11(9)5-8)13(18)14-17-12(7-22-14)15(19)21-2/h3-7,16H,1-2H3.
What are the key properties of methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate?
methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 156515469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).