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

C19H20N4O4S3 — CID 59136014

IUPACethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)CC1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4nccs4)c3[nH]2)S1
InChIInChI=1S/C19H20N4O4S3/c1-3-27-16(24)10-13-11-21-18(29-13)14-9-12-5-4-6-15(17(12)22-14)23(2)30(25,26)19-20-7-8-28-19/h4-9,13,22H,3,10-11H2,1-2H3
InChIKeyUDRKIUYSMGZQQR-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.26
Rot. Bonds7

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

ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate (PubChem CID 59136014) has the molecular formula C19H20N4O4S3 and a molecular weight of 464.59 g/mol. Its IUPAC name is ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
PubChem CID59136014
Molecular FormulaC19H20N4O4S3
Molecular Weight464.59 g/mol
Exact Mass464.06
IUPAC Nameethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)CC1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4nccs4)c3[nH]2)S1
InChIInChI=1S/C19H20N4O4S3/c1-3-27-16(24)10-13-11-21-18(29-13)14-9-12-5-4-6-15(17(12)22-14)23(2)30(25,26)19-20-7-8-28-19/h4-9,13,22H,3,10-11H2,1-2H3
InChIKeyUDRKIUYSMGZQQR-UHFFFAOYSA-N
XLogP3.26
TPSA104.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate (CID 59136014) is ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate is CCOC(=O)CC1CN=C(c2cc3cccc(N(C)S(=O)(=O)c4nccs4)c3[nH]2)S1.
What is the InChIKey of ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate?
The InChIKey is UDRKIUYSMGZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S3/c1-3-27-16(24)10-13-11-21-18(29-13)14-9-12-5-4-6-15(17(12)22-14)23(2)30(25,26)19-20-7-8-28-19/h4-9,13,22H,3,10-11H2,1-2H3.
What are the key properties of ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate has a molecular weight of 464.59 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[7-[methyl(1,3-thiazol-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 59136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).