4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

C24H35N5O5S — CID 40620397

About 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 40620397) has the molecular formula C24H35N5O5S and a molecular weight of 505.64 g/mol. Its IUPAC name is 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 40620397
• Molecular Formula: C24H35N5O5S
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.24
• IUPAC Name: 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: CCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N
• InChI: InChI=1S/C24H35N5O5S/c1-7-8-15(22(31)27-24(2,3)4)29(23(32)20-18(25)19(21(26)30)28-35-20)12-11-14-9-10-16(33-5)17(13-14)34-6/h9-10,13,15H,7-8,11-12,25H2,1-6H3,(H2,26,30)(H,27,31)/t15-/m1/s1
• InChIKey: WCUHHGWQGUMLKY-OAHLLOKOSA-N
• XLogP: 2.61
• TPSA: 149.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide (CID 40620397) is 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide is CCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N.

What is the InChIKey of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is WCUHHGWQGUMLKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H35N5O5S/c1-7-8-15(22(31)27-24(2,3)4)29(23(32)20-18(25)19(21(26)30)28-35-20)12-11-14-9-10-16(33-5)17(13-14)34-6/h9-10,13,15H,7-8,11-12,25H2,1-6H3,(H2,26,30)(H,27,31)/t15-/m1/s1.

What are the key properties of 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 505.64 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 40620397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).