2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

C19H26N6O2S — CID 26376688

IUPAC2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(N2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H26N6O2S/c1-12(2)18-21-13(3)10-15(22-18)25-7-5-24(6-8-25)11-16(26)23-19-14(17(20)27)4-9-28-19/h4,9-10,12H,5-8,11H2,1-3H3,(H2,20,27)(H,23,26)
InChIKeyCUWHKSKIQBHVCI-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.83
Rot. Bonds6

About 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 26376688) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID26376688
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(N2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H26N6O2S/c1-12(2)18-21-13(3)10-15(22-18)25-7-5-24(6-8-25)11-16(26)23-19-14(17(20)27)4-9-28-19/h4,9-10,12H,5-8,11H2,1-3H3,(H2,20,27)(H,23,26)
InChIKeyCUWHKSKIQBHVCI-UHFFFAOYSA-N
XLogP1.83
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26377217
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24568539
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 26376688) is 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is Cc1cc(N2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is CUWHKSKIQBHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-12(2)18-21-13(3)10-15(22-18)25-7-5-24(6-8-25)11-16(26)23-19-14(17(20)27)4-9-28-19/h4,9-10,12H,5-8,11H2,1-3H3,(H2,20,27)(H,23,26).
What are the key properties of 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 26376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).