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

C19H19FN4O3S3 — CID 57476331

IUPAC2-[2-[7-[2-fluoroethyl(thiophen-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)c4cccs4)c3[nH]2)S1
InChIInChI=1S/C19H19FN4O3S3/c20-6-7-24(30(26,27)17-5-2-8-28-17)15-4-1-3-12-9-14(23-18(12)15)19-22-11-13(29-19)10-16(21)25/h1-5,8-9,13,23H,6-7,10-11H2,(H2,21,25)
InChIKeyTXVQHLGAYNENSO-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.13
Rot. Bonds8

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

2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 57476331) has the molecular formula C19H19FN4O3S3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID57476331
Molecular FormulaC19H19FN4O3S3
Molecular Weight466.59 g/mol
Exact Mass466.06
IUPAC Name2-[2-[7-[2-fluoroethyl(thiophen-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)c4cccs4)c3[nH]2)S1
InChIInChI=1S/C19H19FN4O3S3/c20-6-7-24(30(26,27)17-5-2-8-28-17)15-4-1-3-12-9-14(23-18(12)15)19-22-11-13(29-19)10-16(21)25/h1-5,8-9,13,23H,6-7,10-11H2,(H2,21,25)
InChIKeyTXVQHLGAYNENSO-UHFFFAOYSA-N
XLogP3.13
TPSA108.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.13
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(thiophen-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(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 57476331) is 2-[2-[7-[2-fluoroethyl(thiophen-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(thiophen-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(thiophen-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)c4cccs4)c3[nH]2)S1.
What is the InChIKey of 2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is TXVQHLGAYNENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S3/c20-6-7-24(30(26,27)17-5-2-8-28-17)15-4-1-3-12-9-14(23-18(12)15)19-22-11-13(29-19)10-16(21)25/h1-5,8-9,13,23H,6-7,10-11H2,(H2,21,25).
What are the key properties of 2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
2-[2-[7-[2-fluoroethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 3.13, 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(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 57476331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).