N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H24N6O2S — CID 56722911

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56722911) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 56722911
• Molecular Formula: C18H24N6O2S
• Molecular Weight: 388.50 g/mol
• Exact Mass: 388.17
• IUPAC Name: N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)NCc2nc(C(C)(C)C)cs2)C(c2nc[nH]c2C)NC(=O)N1
• InChI: InChI=1S/C18H24N6O2S/c1-9-13(15(24-17(26)22-9)14-10(2)20-8-21-14)16(25)19-6-12-23-11(7-27-12)18(3,4)5/h7-8,15H,6H2,1-5H3,(H,19,25)(H,20,21)(H2,22,24,26)
• InChIKey: UIXJFOVOFMEDLG-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 111.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.50
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56722911) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2nc(C(C)(C)C)cs2)C(c2nc[nH]c2C)NC(=O)N1.

What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is UIXJFOVOFMEDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-9-13(15(24-17(26)22-9)14-10(2)20-8-21-14)16(25)19-6-12-23-11(7-27-12)18(3,4)5/h7-8,15H,6H2,1-5H3,(H,19,25)(H,20,21)(H2,22,24,26).

What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56722911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).