(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C34H25ClN4O2S2 — CID 126156317

IUPAC(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc4c(c3)Sc3ccccc3N4C)c2=O)=N1
InChIInChI=1S/C34H25ClN4O2S2/c1-20-30(32(40)37-24-8-4-3-5-9-24)31(22-13-15-23(35)16-14-22)39-33(41)29(43-34(39)36-20)19-21-12-17-26-28(18-21)42-27-11-7-6-10-25(27)38(26)2/h3-19,31H,1-2H3,(H,37,40)/b29-19+/t31-/m0/s1
InChIKeyYMJYCUYYKDPASL-OGMUYLFESA-N
MW621.19 g/mol
LogP6.76
Rot. Bonds4

About (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126156317) has the molecular formula C34H25ClN4O2S2 and a molecular weight of 621.19 g/mol. Its IUPAC name is (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126156317
Molecular FormulaC34H25ClN4O2S2
Molecular Weight621.19 g/mol
Exact Mass620.11
IUPAC Name(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc4c(c3)Sc3ccccc3N4C)c2=O)=N1
InChIInChI=1S/C34H25ClN4O2S2/c1-20-30(32(40)37-24-8-4-3-5-9-24)31(22-13-15-23(35)16-14-22)39-33(41)29(43-34(39)36-20)19-21-12-17-26-28(18-21)42-27-11-7-6-10-25(27)38(26)2/h3-19,31H,1-2H3,(H,37,40)/b29-19+/t31-/m0/s1
InChIKeyYMJYCUYYKDPASL-OGMUYLFESA-N
XLogP6.76
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.19
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,5R)-5-(4-chlorophenyl)-7-methyl-2-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126070724
5-(4-chlorophenyl)-7-methyl-3-oxo-N-phenyl-2-(pyridin-4-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5058040
[4-[[(5S)-5-(4-chlorophenyl)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-methoxyphenyl] acetate
CID 129444084
5-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4084819
(2E,5R)-5-(4-chlorophenyl)-7-methyl-2-[[4-(2-methylpropoxy)phenyl]methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126030351
(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 1223996
(2Z,5R)-2-[(3-chloro-4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126084643
(2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5345512
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6089689
(2Z)-2-[(4-bromophenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21208759
(2E,5R)-2-[(3-chloro-4-methoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126029304
(2E,5R)-2-[(3-chloro-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126022357

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126156317) is (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc4c(c3)Sc3ccccc3N4C)c2=O)=N1.
What is the InChIKey of (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YMJYCUYYKDPASL-OGMUYLFESA-N. The full InChI is InChI=1S/C34H25ClN4O2S2/c1-20-30(32(40)37-24-8-4-3-5-9-24)31(22-13-15-23(35)16-14-22)39-33(41)29(43-34(39)36-20)19-21-12-17-26-28(18-21)42-27-11-7-6-10-25(27)38(26)2/h3-19,31H,1-2H3,(H,37,40)/b29-19+/t31-/m0/s1.
What are the key properties of (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 621.19 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-(4-chlorophenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).