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

C21H27N5O2S2 — CID 53205488

IUPAC2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3C)n(C(C)C)c(=O)c2s1
InChIInChI=1S/C21H27N5O2S2/c1-6-25(7-2)20-23-18-17(30-20)19(28)26(13(3)4)21(24-18)29-12-16(27)22-15-11-9-8-10-14(15)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,27)
InChIKeyWVCAKJADJUFKEG-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.32
Rot. Bonds8

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

2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 53205488) has the molecular formula C21H27N5O2S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID53205488
Molecular FormulaC21H27N5O2S2
Molecular Weight445.61 g/mol
Exact Mass445.16
IUPAC Name2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3C)n(C(C)C)c(=O)c2s1
InChIInChI=1S/C21H27N5O2S2/c1-6-25(7-2)20-23-18-17(30-20)19(28)26(13(3)4)21(24-18)29-12-16(27)22-15-11-9-8-10-14(15)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,27)
InChIKeyWVCAKJADJUFKEG-UHFFFAOYSA-N
XLogP4.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(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-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 35198091
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
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
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-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 8807484

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 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) is 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide is CCN(CC)c1nc2nc(SCC(=O)Nc3ccccc3C)n(C(C)C)c(=O)c2s1.
What is the InChIKey of 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is WVCAKJADJUFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S2/c1-6-25(7-2)20-23-18-17(30-20)19(28)26(13(3)4)21(24-18)29-12-16(27)22-15-11-9-8-10-14(15)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,27).
What are the key properties of 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide?
2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 445.61 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).