methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate

C24H23FN4O4S — CID 67394471

IUPACmethyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nc(C)sc1-c1ccc(OC)nc1
InChIInChI=1S/C24H23FN4O4S/c1-14-28-22(23(34-14)16-4-7-20(32-2)27-12-16)24(31)29(13-21(30)33-3)9-8-15-11-26-19-6-5-17(25)10-18(15)19/h4-7,10-12,26H,8-9,13H2,1-3H3
InChIKeyOUYPCOSLKPZRMJ-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.00
Rot. Bonds8

About methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate

methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate (PubChem CID 67394471) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate
PubChem CID67394471
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Namemethyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nc(C)sc1-c1ccc(OC)nc1
InChIInChI=1S/C24H23FN4O4S/c1-14-28-22(23(34-14)16-4-7-20(32-2)27-12-16)24(31)29(13-21(30)33-3)9-8-15-11-26-19-6-5-17(25)10-18(15)19/h4-7,10-12,26H,8-9,13H2,1-3H3
InChIKeyOUYPCOSLKPZRMJ-UHFFFAOYSA-N
XLogP4.00
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate (CID 67394471) is methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate is COC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nc(C)sc1-c1ccc(OC)nc1.
What is the InChIKey of methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate?
The InChIKey is OUYPCOSLKPZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-14-28-22(23(34-14)16-4-7-20(32-2)27-12-16)24(31)29(13-21(30)33-3)9-8-15-11-26-19-6-5-17(25)10-18(15)19/h4-7,10-12,26H,8-9,13H2,1-3H3.
What are the key properties of methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate?
methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate has a molecular weight of 482.54 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 67394471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).