N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide

C16H19BrN4O4S — CID 78886354

About N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide

N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide (PubChem CID 78886354) has the molecular formula C16H19BrN4O4S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
• PubChem CID: 78886354
• Molecular Formula: C16H19BrN4O4S
• Molecular Weight: 443.32 g/mol
• Exact Mass: 442.03
• IUPAC Name: N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
• SMILES: CCC(C)C(NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C(N)=O
• InChI: InChI=1S/C16H19BrN4O4S/c1-3-8(2)13(14(18)23)20-12(22)6-9-7-26-16(19-9)21-15(24)10-4-5-11(17)25-10/h4-5,7-8,13H,3,6H2,1-2H3,(H2,18,23)(H,20,22)(H,19,21,24)
• InChIKey: QGAQVOFPVYZHQP-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 127.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.32
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?

The IUPAC name of N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide (CID 78886354) is N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?

The canonical SMILES for N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide is CCC(C)C(NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1)C(N)=O.

What is the InChIKey of N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?

The InChIKey is QGAQVOFPVYZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O4S/c1-3-8(2)13(14(18)23)20-12(22)6-9-7-26-16(19-9)21-15(24)10-4-5-11(17)25-10/h4-5,7-8,13H,3,6H2,1-2H3,(H2,18,23)(H,20,22)(H,19,21,24).

What are the key properties of N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide?

N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide has a molecular weight of 443.32 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 78886354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).