N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide

C20H22N4O2S2 — CID 118630768

IUPACN-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
InChIInChI=1S/C20H22N4O2S2/c1-13(25)17-11-15-18(28-17)19(23-12-22-15)24-8-5-14(6-9-24)4-7-21-20(26)16-3-2-10-27-16/h2-3,10-12,14H,4-9H2,1H3,(H,21,26)
InChIKeyAWQASGOXAWHTPG-UHFFFAOYSA-N
MW414.56 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide (PubChem CID 118630768) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
PubChem CID118630768
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
InChIInChI=1S/C20H22N4O2S2/c1-13(25)17-11-15-18(28-17)19(23-12-22-15)24-8-5-14(6-9-24)4-7-21-20(26)16-3-2-10-27-16/h2-3,10-12,14H,4-9H2,1H3,(H,21,26)
InChIKeyAWQASGOXAWHTPG-UHFFFAOYSA-N
XLogP3.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 71654991
N-cyclohexyl-4-[2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46381865
4-[4-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654843
4-(4-ethylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 118630788
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-6-yl]ethanone;1-[4-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-6-yl]ethanone;methane;1-[4-[4-(2-methoxyethyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-6-yl]ethanone
CID 162014599
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787
N-[2-(5-acetylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 91817323
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
4-[4-[2-(cyclopentanecarbonylamino)ethyl]piperidin-1-yl]-2-methylthieno[3,2-d]pyrimidine-6-carboxamide
CID 90398915
4-(4-cyclohexylpiperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 157398260
tert-butyl N-[2-[1-(6-carbamoyl-2-ethylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]carbamate
CID 144698914

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide (CID 118630768) is N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide is CC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1.
What is the InChIKey of N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is AWQASGOXAWHTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c1-13(25)17-11-15-18(28-17)19(23-12-22-15)24-8-5-14(6-9-24)4-7-21-20(26)16-3-2-10-27-16/h2-3,10-12,14H,4-9H2,1H3,(H,21,26).
What are the key properties of N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 414.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6-acetylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 118630768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).