4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide

C17H23N5O5S — CID 4215450

About 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 4215450) has the molecular formula C17H23N5O5S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 4215450
• Molecular Formula: C17H23N5O5S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.14
• IUPAC Name: 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide
• SMILES: CC(C)(C)NC(=O)C(c1ccco1)N(CCO)C(=O)c1snc(C(N)=O)c1N
• InChI: InChI=1S/C17H23N5O5S/c1-17(2,3)20-15(25)12(9-5-4-8-27-9)22(6-7-23)16(26)13-10(18)11(14(19)24)21-28-13/h4-5,8,12,23H,6-7,18H2,1-3H3,(H2,19,24)(H,20,25)
• InChIKey: FIKKVNRVKVCYFI-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 164.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide (CID 4215450) is 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide is CC(C)(C)NC(=O)C(c1ccco1)N(CCO)C(=O)c1snc(C(N)=O)c1N.

What is the InChIKey of 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is FIKKVNRVKVCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5S/c1-17(2,3)20-15(25)12(9-5-4-8-27-9)22(6-7-23)16(26)13-10(18)11(14(19)24)21-28-13/h4-5,8,12,23H,6-7,18H2,1-3H3,(H2,19,24)(H,20,25).

What are the key properties of 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 409.47 g/mol, XLogP of 0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-hydroxyethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 4215450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).