N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C19H18N4O3S — CID 154570944

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154570944) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 154570944
• Molecular Formula: C19H18N4O3S
• Molecular Weight: 382.45 g/mol
• Exact Mass: 382.11
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CCc1nc(-c2ncccn2)sc1C(=O)NCC1COc2ccccc2O1
• InChI: InChI=1S/C19H18N4O3S/c1-2-13-16(27-19(23-13)17-20-8-5-9-21-17)18(24)22-10-12-11-25-14-6-3-4-7-15(14)26-12/h3-9,12H,2,10-11H2,1H3,(H,22,24)
• InChIKey: OMJDLUDLGURAJJ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.45
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154570944) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCC1COc2ccccc2O1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is OMJDLUDLGURAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-2-13-16(27-19(23-13)17-20-8-5-9-21-17)18(24)22-10-12-11-25-14-6-3-4-7-15(14)26-12/h3-9,12H,2,10-11H2,1H3,(H,22,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154570944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).