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

C12H19N5O2S — CID 116666908

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

4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116666908) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• PubChem CID: 116666908
• Molecular Formula: C12H19N5O2S
• Molecular Weight: 297.38 g/mol
• Exact Mass: 297.13
• IUPAC Name: 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• SMILES: CC(C)Nc1nc(N)c(C(=O)NCC2CCC(=O)N2)s1
• InChI: InChI=1S/C12H19N5O2S/c1-6(2)15-12-17-10(13)9(20-12)11(19)14-5-7-3-4-8(18)16-7/h6-7H,3-5,13H2,1-2H3,(H,14,19)(H,15,17)(H,16,18)
• InChIKey: AESXTZPUSSDSBZ-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 109.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.38
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116666908) is 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCC2CCC(=O)N2)s1.

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

The InChIKey is AESXTZPUSSDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-6(2)15-12-17-10(13)9(20-12)11(19)14-5-7-3-4-8(18)16-7/h6-7H,3-5,13H2,1-2H3,(H,14,19)(H,15,17)(H,16,18).

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

4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).