N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide

C19H22N4OS2 — CID 49432414

IUPACN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc2c(N3CCC(NC(=O)c4ccc(C)s4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4OS2/c1-3-14-10-15-17(20-11-21-19(15)26-14)23-8-6-13(7-9-23)22-18(24)16-5-4-12(2)25-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,22,24)
InChIKeyLKRLMZLMOGDWAO-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.02
Rot. Bonds4

About N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49432414) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49432414
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC NameN-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc2c(N3CCC(NC(=O)c4ccc(C)s4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4OS2/c1-3-14-10-15-17(20-11-21-19(15)26-14)23-8-6-13(7-9-23)22-18(24)16-5-4-12(2)25-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,22,24)
InChIKeyLKRLMZLMOGDWAO-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089198
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
N-cyclopropyl-2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 31539436
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 55626661
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129489839
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49432414) is N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide is CCc1cc2c(N3CCC(NC(=O)c4ccc(C)s4)CC3)ncnc2s1.
What is the InChIKey of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is LKRLMZLMOGDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-3-14-10-15-17(20-11-21-19(15)26-14)23-8-6-13(7-9-23)22-18(24)16-5-4-12(2)25-16/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49432414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).