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

C12H21N5O2S — CID 116664175

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

4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116664175) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 116664175
• Molecular Formula: C12H21N5O2S
• Molecular Weight: 299.40 g/mol
• Exact Mass: 299.14
• IUPAC Name: 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CCN(CC(=O)NC(C)C)C(=O)c1sc(NC)nc1N
• InChI: InChI=1S/C12H21N5O2S/c1-5-17(6-8(18)15-7(2)3)11(19)9-10(13)16-12(14-4)20-9/h7H,5-6,13H2,1-4H3,(H,14,16)(H,15,18)
• InChIKey: BGESVNFXGLNQII-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 100.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.40
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 116664175) is 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1sc(NC)nc1N.

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

The InChIKey is BGESVNFXGLNQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-5-17(6-8(18)15-7(2)3)11(19)9-10(13)16-12(14-4)20-9/h7H,5-6,13H2,1-4H3,(H,14,16)(H,15,18).

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

4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-ethyl-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).