4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C13H23N5O2S — CID 116664409

About 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116664409) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 116664409
• Molecular Formula: C13H23N5O2S
• Molecular Weight: 313.43 g/mol
• Exact Mass: 313.16
• IUPAC Name: 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CCN(C)c1nc(N)c(C(=O)N(C)CC(=O)NC(C)C)s1
• InChI: InChI=1S/C13H23N5O2S/c1-6-17(4)13-16-11(14)10(21-13)12(20)18(5)7-9(19)15-8(2)3/h8H,6-7,14H2,1-5H3,(H,15,19)
• InChIKey: ZSHXZQLUPCWCIN-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 91.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.43
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 116664409) is 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)N(C)CC(=O)NC(C)C)s1.

What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is ZSHXZQLUPCWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-6-17(4)13-16-11(14)10(21-13)12(20)18(5)7-9(19)15-8(2)3/h8H,6-7,14H2,1-5H3,(H,15,19).

What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?

4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).