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

C23H28FN5O2S2 — CID 53206552

IUPACN-(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
SMILESCCCn1c(SCC(=O)Nc2ccc(C)cc2F)nc2nc(N3CCC(C)CC3)sc2c1=O
InChIInChI=1S/C23H28FN5O2S2/c1-4-9-29-21(31)19-20(26-22(33-19)28-10-7-14(2)8-11-28)27-23(29)32-13-18(30)25-17-6-5-15(3)12-16(17)24/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30)
InChIKeyUCANWGDCBJWMTB-UHFFFAOYSA-N
MW489.64 g/mol
LogP4.68
Rot. Bonds7

About 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

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 (PubChem CID 53206552) has the molecular formula C23H28FN5O2S2 and a molecular weight of 489.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID53206552
Molecular FormulaC23H28FN5O2S2
Molecular Weight489.64 g/mol
Exact Mass489.17
IUPAC NameN-(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
SMILESCCCn1c(SCC(=O)Nc2ccc(C)cc2F)nc2nc(N3CCC(C)CC3)sc2c1=O
InChIInChI=1S/C23H28FN5O2S2/c1-4-9-29-21(31)19-20(26-22(33-19)28-10-7-14(2)8-11-28)27-23(29)32-13-18(30)25-17-6-5-15(3)12-16(17)24/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30)
InChIKeyUCANWGDCBJWMTB-UHFFFAOYSA-N
XLogP4.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(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
N-cyclohexyl-2-[(7-oxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205576
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
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-(2-fluoro-4-methylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 51369199
N-(3-methoxyphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205560
N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 46391066
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-(3-fluoro-4-methylphenyl)-2-[(7-oxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 53205979

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCn1c(SCC(=O)Nc2ccc(C)cc2F)nc2nc(N3CCC(C)CC3)sc2c1=O.
What is the InChIKey of 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?
The InChIKey is UCANWGDCBJWMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2S2/c1-4-9-29-21(31)19-20(26-22(33-19)28-10-7-14(2)8-11-28)27-23(29)32-13-18(30)25-17-6-5-15(3)12-16(17)24/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30).
What are the key properties of 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?
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 has a molecular weight of 489.64 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 53206552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).