(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C25H19N3O2S2 — CID 42100595

IUPAC(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccs3)c2=O)=N1
InChIInChI=1S/C25H19N3O2S2/c1-16-21(23(29)27-18-11-6-3-7-12-18)22(17-9-4-2-5-10-17)28-24(30)20(32-25(28)26-16)15-19-13-8-14-31-19/h2-15,22H,1H3,(H,27,29)/b20-15-/t22-/m1/s1
InChIKeyMWBDTNUQQROTKV-MNJKBJKMSA-N
MW457.58 g/mol
LogP3.94
Rot. Bonds4

About (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42100595) has the molecular formula C25H19N3O2S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42100595
Molecular FormulaC25H19N3O2S2
Molecular Weight457.58 g/mol
Exact Mass457.09
IUPAC Name(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccs3)c2=O)=N1
InChIInChI=1S/C25H19N3O2S2/c1-16-21(23(29)27-18-11-6-3-7-12-18)22(17-9-4-2-5-10-17)28-24(30)20(32-25(28)26-16)15-19-13-8-14-31-19/h2-15,22H,1H3,(H,27,29)/b20-15-/t22-/m1/s1
InChIKeyMWBDTNUQQROTKV-MNJKBJKMSA-N
XLogP3.94
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2E,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793173
(2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5345512
propan-2-yl 7-methyl-3-oxo-5-phenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3316374
2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3303221
(2Z)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6020034
2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4773853
(2E)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6392045
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5106333
(5R)-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 1226170
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
(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

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42100595) is (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccs3)c2=O)=N1.
What is the InChIKey of (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MWBDTNUQQROTKV-MNJKBJKMSA-N. The full InChI is InChI=1S/C25H19N3O2S2/c1-16-21(23(29)27-18-11-6-3-7-12-18)22(17-9-4-2-5-10-17)28-24(30)20(32-25(28)26-16)15-19-13-8-14-31-19/h2-15,22H,1H3,(H,27,29)/b20-15-/t22-/m1/s1.
What are the key properties of (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42100595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).