2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

C20H20FN5O3S2 — CID 57476338

IUPAC2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESNC(=O)CC1CN=C(c2cc3cccc(N(CCF)S(=O)(=O)c4ccccn4)c3[nH]2)S1
InChIInChI=1S/C20H20FN5O3S2/c21-7-9-26(31(28,29)18-6-1-2-8-23-18)16-5-3-4-13-10-15(25-19(13)16)20-24-12-14(30-20)11-17(22)27/h1-6,8,10,14,25H,7,9,11-12H2,(H2,22,27)
InChIKeyJSWDEYOXBGIJSV-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.47
Rot. Bonds8

About 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide

2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 57476338) has the molecular formula C20H20FN5O3S2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID57476338
Molecular FormulaC20H20FN5O3S2
Molecular Weight461.54 g/mol
Exact Mass461.10
IUPAC Name2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESNC(=O)CC1CN=C(c2cc3cccc(N(CCF)S(=O)(=O)c4ccccn4)c3[nH]2)S1
InChIInChI=1S/C20H20FN5O3S2/c21-7-9-26(31(28,29)18-6-1-2-8-23-18)16-5-3-4-13-10-15(25-19(13)16)20-24-12-14(30-20)11-17(22)27/h1-6,8,10,14,25H,7,9,11-12H2,(H2,22,27)
InChIKeyJSWDEYOXBGIJSV-UHFFFAOYSA-N
XLogP2.47
TPSA121.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 57476338) is 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is NC(=O)CC1CN=C(c2cc3cccc(N(CCF)S(=O)(=O)c4ccccn4)c3[nH]2)S1.
What is the InChIKey of 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is JSWDEYOXBGIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S2/c21-7-9-26(31(28,29)18-6-1-2-8-23-18)16-5-3-4-13-10-15(25-19(13)16)20-24-12-14(30-20)11-17(22)27/h1-6,8,10,14,25H,7,9,11-12H2,(H2,22,27).
What are the key properties of 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[2-fluoroethyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 57476338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).