4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C21H22N4O3S — CID 154823005

About 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154823005) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 154823005
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(-c2ncccn2)sc1C(=O)NCC1COc2cc(OC)ccc2C1
• InChI: InChI=1S/C21H22N4O3S/c1-3-16-18(29-21(25-16)19-22-7-4-8-23-19)20(26)24-11-13-9-14-5-6-15(27-2)10-17(14)28-12-13/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,24,26)
• InChIKey: PSTZDEZKNGZBOM-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154823005) is 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCC1COc2cc(OC)ccc2C1.

What is the InChIKey of 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is PSTZDEZKNGZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-16-18(29-21(25-16)19-22-7-4-8-23-19)20(26)24-11-13-9-14-5-6-15(27-2)10-17(14)28-12-13/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,24,26).

What are the key properties of 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154823005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).