ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate

C24H24N2O4S2 — CID 66646802

IUPACethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)s2)nc1C
InChIInChI=1S/C24H24N2O4S2/c1-6-29-22(27)20-14(2)25-21(32-20)19-12-11-18(31-19)17-13-15-9-7-8-10-16(15)26(17)23(28)30-24(3,4)5/h7-13H,6H2,1-5H3
InChIKeyCUSBBTVVGHAUMZ-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.76
Rot. Bonds4

About ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate (PubChem CID 66646802) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate
PubChem CID66646802
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC Nameethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)s2)nc1C
InChIInChI=1S/C24H24N2O4S2/c1-6-29-22(27)20-14(2)25-21(32-20)19-12-11-18(31-19)17-13-15-9-7-8-10-16(15)26(17)23(28)30-24(3,4)5/h7-13H,6H2,1-5H3
InChIKeyCUSBBTVVGHAUMZ-UHFFFAOYSA-N
XLogP6.76
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644689
ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644957
ethyl 2-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645079
tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804
tert-butyl 2-(1-aminopropyl)indole-1-carboxylate
CID 102547967
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
tert-butyl 5-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indazole-1-carboxylate
CID 131846569
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645183
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate (CID 66646802) is ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)s2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is CUSBBTVVGHAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-6-29-22(27)20-14(2)25-21(32-20)19-12-11-18(31-19)17-13-15-9-7-8-10-16(15)26(17)23(28)30-24(3,4)5/h7-13H,6H2,1-5H3.
What are the key properties of ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 468.60 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66646802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).