N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

C20H24ClN5O2S2 — CID 53205470

IUPACN-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3Cl)n(C(C)C)c(=O)c2s1
InChIInChI=1S/C20H24ClN5O2S2/c1-5-25(6-2)19-23-17-16(30-19)18(28)26(12(3)4)20(24-17)29-11-15(27)22-14-10-8-7-9-13(14)21/h7-10,12H,5-6,11H2,1-4H3,(H,22,27)
InChIKeyWZBXYTTUURGMFN-UHFFFAOYSA-N
MW466.03 g/mol
LogP4.66
Rot. Bonds8

About N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (PubChem CID 53205470) has the molecular formula C20H24ClN5O2S2 and a molecular weight of 466.03 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
PubChem CID53205470
Molecular FormulaC20H24ClN5O2S2
Molecular Weight466.03 g/mol
Exact Mass465.11
IUPAC NameN-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3Cl)n(C(C)C)c(=O)c2s1
InChIInChI=1S/C20H24ClN5O2S2/c1-5-25(6-2)19-23-17-16(30-19)18(28)26(12(3)4)20(24-17)29-11-15(27)22-14-10-8-7-9-13(14)21/h7-10,12H,5-6,11H2,1-4H3,(H,22,27)
InChIKeyWZBXYTTUURGMFN-UHFFFAOYSA-N
XLogP4.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide 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

2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 53205488
N-(2-chloro-4-methylphenyl)-2-[(7-oxo-6-propan-2-yl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205875
N-(2-chloro-4-methylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205612
N-(4-chloro-2-fluorophenyl)-2-[(7-oxo-6-propan-2-yl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205890
2-[[2-(diethylamino)-7-oxo-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 53205898
N-(2,6-dimethylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205607
N-(3,5-dimethylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205596
N-(2-chlorophenyl)-2-[(7-oxo-6-prop-2-enyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53206018
2-[[3-[(2R)-butan-2-yl]-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 95182503
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
N-(3-methylsulfanylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205606
2-[[2-(diethylamino)-7-oxo-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53205930

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (CID 53205470) is N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is CCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3Cl)n(C(C)C)c(=O)c2s1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The InChIKey is WZBXYTTUURGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S2/c1-5-25(6-2)19-23-17-16(30-19)18(28)26(12(3)4)20(24-17)29-11-15(27)22-14-10-8-7-9-13(14)21/h7-10,12H,5-6,11H2,1-4H3,(H,22,27).
What are the key properties of N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide has a molecular weight of 466.03 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 53205470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).