N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H22N4O3S — CID 92627363

About N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 92627363) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 92627363
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cnc3sc(C)cn3c1=O)cn2C
• InChI: InChI=1S/C21H22N4O3S/c1-12(7-14-11-24(3)18-6-5-15(28-4)8-16(14)18)23-19(26)17-9-22-21-25(20(17)27)10-13(2)29-21/h5-6,8-12H,7H2,1-4H3,(H,23,26)/t12-/m0/s1
• InChIKey: MVHCHONTAUXSTR-LBPRGKRZSA-N
• XLogP: 2.93
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 92627363) is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cnc3sc(C)cn3c1=O)cn2C.

What is the InChIKey of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is MVHCHONTAUXSTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-12(7-14-11-24(3)18-6-5-15(28-4)8-16(14)18)23-19(26)17-9-22-21-25(20(17)27)10-13(2)29-21/h5-6,8-12H,7H2,1-4H3,(H,23,26)/t12-/m0/s1.

What are the key properties of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 92627363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).