(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C34H31ClN4O4S — CID 126394952

IUPAC(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC
InChIInChI=1S/C34H31ClN4O4S/c1-5-37(6-2)31(40)27-20(3)36-34-39(29(27)24-12-8-10-14-26(24)43-4)33(42)30(44-34)28-23-11-7-9-13-25(23)38(32(28)41)19-21-15-17-22(35)18-16-21/h7-18,29H,5-6,19H2,1-4H3/b30-28-/t29-/m1/s1
InChIKeyVAEHBRPAJDPIHP-PBAWISNSSA-N
MW627.17 g/mol
LogP4.68
Rot. Bonds7

About (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126394952) has the molecular formula C34H31ClN4O4S and a molecular weight of 627.17 g/mol. Its IUPAC name is (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126394952
Molecular FormulaC34H31ClN4O4S
Molecular Weight627.17 g/mol
Exact Mass626.18
IUPAC Name(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC
InChIInChI=1S/C34H31ClN4O4S/c1-5-37(6-2)31(40)27-20(3)36-34-39(29(27)24-12-8-10-14-26(24)43-4)33(42)30(44-34)28-23-11-7-9-13-25(23)38(32(28)41)19-21-15-17-22(35)18-16-21/h7-18,29H,5-6,19H2,1-4H3/b30-28-/t29-/m1/s1
InChIKeyVAEHBRPAJDPIHP-PBAWISNSSA-N
XLogP4.68
TPSA84.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.17
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

ethyl (2Z,5R)-2-(1-benzyl-2-oxoindol-3-ylidene)-5-(2-methoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126128534
ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126391875
ethyl (2Z,5S)-5-(5-chloro-2-methoxyphenyl)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126390825
ethyl 2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4231574
propan-2-yl (2E,5S)-2-(1-benzyl-2-oxoindol-3-ylidene)-5-(5-chloro-2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126121675
(2E,5S)-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126117972
propan-2-yl (2E,5S)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98370575
propan-2-yl (2Z,5S)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98143503
(2E,5S)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126392595
(2E,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126392599
ethyl (2E,5S)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126395947
(2E,5R)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126116009

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126394952) is (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-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(Cc4ccc(Cl)cc4)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC.
What is the InChIKey of (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VAEHBRPAJDPIHP-PBAWISNSSA-N. The full InChI is InChI=1S/C34H31ClN4O4S/c1-5-37(6-2)31(40)27-20(3)36-34-39(29(27)24-12-8-10-14-26(24)43-4)33(42)30(44-34)28-23-11-7-9-13-25(23)38(32(28)41)19-21-15-17-22(35)18-16-21/h7-18,29H,5-6,19H2,1-4H3/b30-28-/t29-/m1/s1.
What are the key properties of (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 627.17 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126394952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).