5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H15N3O2S2 — CID 42496021

About 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42496021) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42496021
• Molecular Formula: C18H15N3O2S2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.06
• IUPAC Name: 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: O=C(N[C@H](c1ccccc1)c1cccs1)c1cnc2n(c1=O)CCS2
• InChI: InChI=1S/C18H15N3O2S2/c22-16(13-11-19-18-21(17(13)23)8-10-25-18)20-15(14-7-4-9-24-14)12-5-2-1-3-6-12/h1-7,9,11,15H,8,10H2,(H,20,22)/t15-/m1/s1
• InChIKey: ALLOBHRPZMAGJK-OAHLLOKOSA-N
• XLogP: 2.93
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42496021) is 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(N[C@H](c1ccccc1)c1cccs1)c1cnc2n(c1=O)CCS2.

What is the InChIKey of 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is ALLOBHRPZMAGJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-16(13-11-19-18-21(17(13)23)8-10-25-18)20-15(14-7-4-9-24-14)12-5-2-1-3-6-12/h1-7,9,11,15H,8,10H2,(H,20,22)/t15-/m1/s1.

What are the key properties of 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42496021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).