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

C28H26ClN5O3S2 — CID 126275935

IUPAC(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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\c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN5O3S2/c1-5-33(6-2)26(36)23-17(4)32-28-34(24(23)18-7-9-19(29)10-8-18)25(35)21(38-28)15-20-11-12-22(37-20)39-27-30-14-13-16(3)31-27/h7-15,24H,5-6H2,1-4H3/b21-15-/t24-/m0/s1
InChIKeyDMKUNWLGUGURSB-VNSJDZJPSA-N
MW580.14 g/mol
LogP4.60
Rot. Bonds7

About (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126275935) has the molecular formula C28H26ClN5O3S2 and a molecular weight of 580.14 g/mol. Its IUPAC name is (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126275935
Molecular FormulaC28H26ClN5O3S2
Molecular Weight580.14 g/mol
Exact Mass579.12
IUPAC Name(2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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\c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C28H26ClN5O3S2/c1-5-33(6-2)26(36)23-17(4)32-28-34(24(23)18-7-9-19(29)10-8-18)25(35)21(38-28)15-20-11-12-22(37-20)39-27-30-14-13-16(3)31-27/h7-15,24H,5-6H2,1-4H3/b21-15-/t24-/m0/s1
InChIKeyDMKUNWLGUGURSB-VNSJDZJPSA-N
XLogP4.60
TPSA93.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.14
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

(2E,5R)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126104164
(2E,5R)-5-(4-chlorophenyl)-2-[[5-(diethylamino)furan-2-yl]methylidene]-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126105104
ethyl (2E,5R)-5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2722035
(2E,5S)-2-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene]-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126126188
(2E,5S)-5-(4-chlorophenyl)-N,N-diethyl-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126098844
(2E,5R)-2-[[5-(azepan-1-yl)furan-2-yl]methylidene]-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126100312
(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
ethyl (2E,5R)-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126276400
(2Z,5R)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126110252
(2E,5S)-2-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126112531
methyl 4-chloro-2-[5-[(Z)-[(5S)-5-(4-chlorophenyl)-6-(diethylcarbamoyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoate
CID 126199939
ethyl (2E,5R)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126094649

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126275935) is (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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\c3ccc(Sc4nccc(C)n4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DMKUNWLGUGURSB-VNSJDZJPSA-N. The full InChI is InChI=1S/C28H26ClN5O3S2/c1-5-33(6-2)26(36)23-17(4)32-28-34(24(23)18-7-9-19(29)10-8-18)25(35)21(38-28)15-20-11-12-22(37-20)39-27-30-14-13-16(3)31-27/h7-15,24H,5-6H2,1-4H3/b21-15-/t24-/m0/s1.
What are the key properties of (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-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-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 580.14 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-2-[[5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126275935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).