(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

C34H30ClN3O4S2 — CID 126112531

IUPAC(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
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12
InChIInChI=1S/C34H30ClN3O4S2/c1-5-37(6-2)33(40)29-20(3)36-34-38(31(29)30-25-10-8-7-9-21(25)11-17-26(30)41-4)32(39)27(44-34)19-23-14-18-28(42-23)43-24-15-12-22(35)13-16-24/h7-19,31H,5-6H2,1-4H3/b27-19+/t31-/m1/s1
InChIKeyMNRCOCKGULNVAZ-PTEVRWOPSA-N
MW644.22 g/mol
LogP6.66
Rot. Bonds8

About (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

(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 (PubChem CID 126112531) has the molecular formula C34H30ClN3O4S2 and a molecular weight of 644.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID126112531
Molecular FormulaC34H30ClN3O4S2
Molecular Weight644.22 g/mol
Exact Mass643.14
IUPAC Name(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
SMILESCCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12
InChIInChI=1S/C34H30ClN3O4S2/c1-5-37(6-2)33(40)29-20(3)36-34-38(31(29)30-25-10-8-7-9-21(25)11-17-26(30)41-4)32(39)27(44-34)19-23-14-18-28(42-23)43-24-15-12-22(35)13-16-24/h7-19,31H,5-6H2,1-4H3/b27-19+/t31-/m1/s1
InChIKeyMNRCOCKGULNVAZ-PTEVRWOPSA-N
XLogP6.66
TPSA77.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.22
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(2E,5R)-2-[[5-(4-chlorophenyl)furan-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 126113469
(2E,5S)-2-[[5-(3-chlorophenyl)furan-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 126111530
(2E,5R)-2-[[5-(2,5-dichlorophenyl)furan-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 126113317
(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)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-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 126109523
(2E,5R)-2-(anthracen-9-ylmethylidene)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126107849
(2E,5S)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126096419
(2E,5R)-2-[[1-[(4-chlorophenyl)methyl]indol-3-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 126109774
(2E,5R)-2-[[5-(4-acetylphenyl)furan-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 126104887
(2Z,5S)-2-[(4-bromo-5-pyrimidin-2-ylsulfanylfuran-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 126106942
(2E,5S)-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126106451
(2Z,5R)-2-[(5-chloro-2-propan-2-yloxyphenyl)methylidene]-N,N-diethyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126115352

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12.
What is the InChIKey of (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?
The InChIKey is MNRCOCKGULNVAZ-PTEVRWOPSA-N. The full InChI is InChI=1S/C34H30ClN3O4S2/c1-5-37(6-2)33(40)29-20(3)36-34-38(31(29)30-25-10-8-7-9-21(25)11-17-26(30)41-4)32(39)27(44-34)19-23-14-18-28(42-23)43-24-15-12-22(35)13-16-24/h7-19,31H,5-6H2,1-4H3/b27-19+/t31-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 644.22 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 126112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).