N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

C23H29N5O2S2 — CID 53205629

IUPACN-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2nc(N3CCC(C)CC3)sc2c1=O
InChIInChI=1S/C23H29N5O2S2/c1-5-28-21(30)19-20(25-22(32-19)27-10-8-14(2)9-11-27)26-23(28)31-13-18(29)24-17-7-6-15(3)12-16(17)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,29)
InChIKeyFETFAYWLPLCYRK-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.46
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (PubChem CID 53205629) has the molecular formula C23H29N5O2S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
PubChem CID53205629
Molecular FormulaC23H29N5O2S2
Molecular Weight471.65 g/mol
Exact Mass471.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2nc(N3CCC(C)CC3)sc2c1=O
InChIInChI=1S/C23H29N5O2S2/c1-5-28-21(30)19-20(25-22(32-19)27-10-8-14(2)9-11-27)26-23(28)31-13-18(29)24-17-7-6-15(3)12-16(17)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,29)
InChIKeyFETFAYWLPLCYRK-UHFFFAOYSA-N
XLogP4.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 53206552
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 53206550
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198569
N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 53205703
2-[(6-ethyl-7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53205772
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-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
2-[(7-oxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53205989
N-(2,4-dimethylphenyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674854
N-(5-chloro-2-methylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205963
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (CID 53205629) is N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2nc(N3CCC(C)CC3)sc2c1=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The InChIKey is FETFAYWLPLCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S2/c1-5-28-21(30)19-20(25-22(32-19)27-10-8-14(2)9-11-27)26-23(28)31-13-18(29)24-17-7-6-15(3)12-16(17)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide has a molecular weight of 471.65 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[6-ethyl-2-(4-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 53205629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).