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

C17H17N5O3S3 — CID 57476313

IUPAC2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCN(c1cccc2cc(C3=NCC(CC(N)=O)S3)[nH]c12)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H17N5O3S3/c1-22(28(24,25)17-19-5-6-26-17)13-4-2-3-10-7-12(21-15(10)13)16-20-9-11(27-16)8-14(18)23/h2-7,11,21H,8-9H2,1H3,(H2,18,23)
InChIKeyJWGDELWLXKTBSP-UHFFFAOYSA-N
MW435.56 g/mol
LogP2.19
Rot. Bonds6

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

2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 57476313) has the molecular formula C17H17N5O3S3 and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID57476313
Molecular FormulaC17H17N5O3S3
Molecular Weight435.56 g/mol
Exact Mass435.05
IUPAC Name2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCN(c1cccc2cc(C3=NCC(CC(N)=O)S3)[nH]c12)S(=O)(=O)c1nccs1
InChIInChI=1S/C17H17N5O3S3/c1-22(28(24,25)17-19-5-6-26-17)13-4-2-3-10-7-12(21-15(10)13)16-20-9-11(27-16)8-14(18)23/h2-7,11,21H,8-9H2,1H3,(H2,18,23)
InChIKeyJWGDELWLXKTBSP-UHFFFAOYSA-N
XLogP2.19
TPSA121.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 57476313) is 2-[2-[7-[methyl(1,3-thiazol-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-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is CN(c1cccc2cc(C3=NCC(CC(N)=O)S3)[nH]c12)S(=O)(=O)c1nccs1.
What is the InChIKey of 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is JWGDELWLXKTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S3/c1-22(28(24,25)17-19-5-6-26-17)13-4-2-3-10-7-12(21-15(10)13)16-20-9-11(27-16)8-14(18)23/h2-7,11,21H,8-9H2,1H3,(H2,18,23).
What are the key properties of 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 435.56 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 57476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).