N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C22H24N8O2S — CID 16608648

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4ncnc5c4cnn5C)CC3)n2)cc1
InChIInChI=1S/C22H24N8O2S/c1-28-20-17(11-25-28)21(24-14-23-20)30-9-7-29(8-10-30)12-19(31)27-22-26-18(13-33-22)15-3-5-16(32-2)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27,31)
InChIKeyKTPMRNPIPZWTGS-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.26
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 16608648) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID16608648
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCN(c4ncnc5c4cnn5C)CC3)n2)cc1
InChIInChI=1S/C22H24N8O2S/c1-28-20-17(11-25-28)21(24-14-23-20)30-9-7-29(8-10-30)12-19(31)27-22-26-18(13-33-22)15-3-5-16(32-2)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27,31)
InChIKeyKTPMRNPIPZWTGS-UHFFFAOYSA-N
XLogP2.26
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
CID 1374043
2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 2042966
2-(4-(6-Cyclopropyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 25151216
1-[4-[4-Amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(4-tert-butyl-1,3-thiazol-2-yl)urea
CID 132204333
1-[4-[4-Amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 132204423
N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 984840
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[1-(4-methoxy-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-acetamide
CID 3193819
N-(4-methoxyphenethyl)-2-((6-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 18572296
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70686991
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70689058

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 16608648) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(c4ncnc5c4cnn5C)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is KTPMRNPIPZWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-28-20-17(11-25-28)21(24-14-23-20)30-9-7-29(8-10-30)12-19(31)27-22-26-18(13-33-22)15-3-5-16(32-2)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,26,27,31).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 464.56 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 16608648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).