(2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C34H34N4O4S — CID 126148352

About (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126148352) has the molecular formula C34H34N4O4S and a molecular weight of 594.74 g/mol. Its IUPAC name is (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126148352
• Molecular Formula: C34H34N4O4S
• Molecular Weight: 594.74 g/mol
• Exact Mass: 594.23
• IUPAC Name: (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12
• InChI: InChI=1S/C34H34N4O4S/c1-7-36(8-2)31(39)26-20(5)35-34-38(29(26)27-22-14-10-9-13-21(22)17-18-25(27)42-6)33(41)30(43-34)28-23-15-11-12-16-24(23)37(19(3)4)32(28)40/h9-19,29H,7-8H2,1-6H3/b30-28-/t29-/m0/s1
• InChIKey: LADNCWJICYUSRR-AJASBIQKSA-N
• XLogP: 4.39
• TPSA: 84.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.74
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126148352) is (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)C)c4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12.

What is the InChIKey of (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is LADNCWJICYUSRR-AJASBIQKSA-N. The full InChI is InChI=1S/C34H34N4O4S/c1-7-36(8-2)31(39)26-20(5)35-34-38(29(26)27-22-14-10-9-13-21(22)17-18-25(27)42-6)33(41)30(43-34)28-23-15-11-12-16-24(23)37(19(3)4)32(28)40/h9-19,29H,7-8H2,1-6H3/b30-28-/t29-/m0/s1.

What are the key properties of (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 594.74 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126148352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).