(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

C25H18ClN3O2S2 — CID 6089689

IUPAC(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
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1
InChIInChI=1S/C25H18ClN3O2S2/c1-15-21(23(30)28-18-6-3-2-4-7-18)22(19-8-5-13-32-19)29-24(31)20(33-25(29)27-15)14-16-9-11-17(26)12-10-16/h2-14,22H,1H3,(H,28,30)/b20-14-
InChIKeyHNIDJPXXIOURTD-ZHZULCJRSA-N
MW492.03 g/mol
LogP4.59
Rot. Bonds4

About (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

(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 (PubChem CID 6089689) has the molecular formula C25H18ClN3O2S2 and a molecular weight of 492.03 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID6089689
Molecular FormulaC25H18ClN3O2S2
Molecular Weight492.03 g/mol
Exact Mass491.05
IUPAC Name(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
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1
InChIInChI=1S/C25H18ClN3O2S2/c1-15-21(23(30)28-18-6-3-2-4-7-18)22(19-8-5-13-32-19)29-24(31)20(33-25(29)27-15)14-16-9-11-17(26)12-10-16/h2-14,22H,1H3,(H,28,30)/b20-14-
InChIKeyHNIDJPXXIOURTD-ZHZULCJRSA-N
XLogP4.59
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2E,5S)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793240
(2Z,5R)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5455766
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-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21208331
propan-2-yl (2E,5S)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 27283198
(2E,5R)-7-methyl-2-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126063715
(2E,5R)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-2-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 1278372
2-methoxyethyl (5R)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129445405
(2Z,5S)-2-[(3,5-diiodo-4-propan-2-yloxyphenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 9498347
methyl (5R)-2-benzylidene-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 981955
2-[2-bromo-4-[[(5R)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
CID 129444837
2-[2-bromo-4-[[(5S)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
CID 129444838

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1.
What is the InChIKey of (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?
The InChIKey is HNIDJPXXIOURTD-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H18ClN3O2S2/c1-15-21(23(30)28-18-6-3-2-4-7-18)22(19-8-5-13-32-19)29-24(31)20(33-25(29)27-15)14-16-9-11-17(26)12-10-16/h2-14,22H,1H3,(H,28,30)/b20-14-.
What are the key properties of (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?
(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 has a molecular weight of 492.03 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 6089689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).