ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C20H20N4O3S2 — CID 165146786

About ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 165146786) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• PubChem CID: 165146786
• Molecular Formula: C20H20N4O3S2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.10
• IUPAC Name: ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1csc(NC(=O)c2cnc(NC3Cc4ccccc4C3)s2)n1
• InChI: InChI=1S/C20H20N4O3S2/c1-2-27-17(25)9-15-11-28-20(23-15)24-18(26)16-10-21-19(29-16)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,10-11,14H,2,7-9H2,1H3,(H,21,22)(H,23,24,26)
• InChIKey: RRTGUNKNSHGSDN-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The IUPAC name of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 165146786) is ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The canonical SMILES for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cnc(NC3Cc4ccccc4C3)s2)n1.

What is the InChIKey of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

The InChIKey is RRTGUNKNSHGSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-2-27-17(25)9-15-11-28-20(23-15)24-18(26)16-10-21-19(29-16)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,10-11,14H,2,7-9H2,1H3,(H,21,22)(H,23,24,26).

What are the key properties of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?

ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 428.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 165146786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).