(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C33H34ClN5O4S — CID 126172125

IUPAC(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C33H34ClN5O4S/c1-4-36(5-2)32(42)29-21(3)35-33-39(30(29)22-10-12-24(34)13-11-22)31(41)27(44-33)18-23-19-38(26-9-7-6-8-25(23)26)20-28(40)37-14-16-43-17-15-37/h6-13,18-19,30H,4-5,14-17,20H2,1-3H3/b27-18-/t30-/m0/s1
InChIKeyAPVPVMNMZKJODI-OINPTKSXSA-N
MW632.19 g/mol
LogP3.57
Rot. Bonds7

About (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126172125) has the molecular formula C33H34ClN5O4S and a molecular weight of 632.19 g/mol. Its IUPAC name is (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126172125
Molecular FormulaC33H34ClN5O4S
Molecular Weight632.19 g/mol
Exact Mass631.20
IUPAC Name(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C33H34ClN5O4S/c1-4-36(5-2)32(42)29-21(3)35-33-39(30(29)22-10-12-24(34)13-11-22)31(41)27(44-33)18-23-19-38(26-9-7-6-8-25(23)26)20-28(40)37-14-16-43-17-15-37/h6-13,18-19,30H,4-5,14-17,20H2,1-3H3/b27-18-/t30-/m0/s1
InChIKeyAPVPVMNMZKJODI-OINPTKSXSA-N
XLogP3.57
TPSA89.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.19
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(2E,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-3-oxo-2-[(1-prop-2-enylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126115447
(2E,5R)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-3-oxo-2-[(1-propan-2-ylindol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126094817
(2E,5R)-5-(4-fluorophenyl)-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126176921
(2E,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126092559
(2Z,5R)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126159766
ethyl (2E,5R)-5-(4-methoxyphenyl)-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126175195
ethyl (2E,5R)-5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126171476
ethyl (2E,5R)-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126175891
(2E,5S)-5-(4-chlorophenyl)-2-[(1,2-dimethylindol-3-yl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126105471
(2E,5R)-5-(4-chlorophenyl)-2-[(1,2-dimethylindol-3-yl)methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126105473
(2E,5R)-2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126103723
ethyl (2E,5R)-5-(3,4-dimethoxyphenyl)-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126165083

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126172125) is (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is APVPVMNMZKJODI-OINPTKSXSA-N. The full InChI is InChI=1S/C33H34ClN5O4S/c1-4-36(5-2)32(42)29-21(3)35-33-39(30(29)22-10-12-24(34)13-11-22)31(41)27(44-33)18-23-19-38(26-9-7-6-8-25(23)26)20-28(40)37-14-16-43-17-15-37/h6-13,18-19,30H,4-5,14-17,20H2,1-3H3/b27-18-/t30-/m0/s1.
What are the key properties of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 632.19 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).