2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide

C19H22N4O2S2 — CID 8883033

IUPAC2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(N)=O)CC1
InChIInChI=1S/C19H22N4O2S2/c1-12-4-6-22(7-5-12)10-16-21-18-17(19(25)23(16)9-15(20)24)13(11-27-18)14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H2,20,24)
InChIKeyIFIOCPMPNGFSHS-UHFFFAOYSA-N
MW402.55 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide

2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 8883033) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID8883033
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(N)=O)CC1
InChIInChI=1S/C19H22N4O2S2/c1-12-4-6-22(7-5-12)10-16-21-18-17(19(25)23(16)9-15(20)24)13(11-27-18)14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H2,20,24)
InChIKeyIFIOCPMPNGFSHS-UHFFFAOYSA-N
XLogP2.90
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40973177
2-[(4-methylpiperidin-1-yl)methyl]-3-[[(2S)-oxan-2-yl]methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 40799181
2-[(4-methylpiperidin-1-yl)methyl]-3-(oxan-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17437421
2-[2-(morpholin-4-ylmethyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 8888264
2-(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 2513473
3-[2-(4-ethoxyphenoxy)ethyl]-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17398602
3-(2-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28900124
2-(4-oxo-2-propan-2-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898499
5-[(2-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 28895853
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
N-cyclopentyl-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7363940
2-(4-oxo-2-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898565

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide (CID 8883033) is 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide is CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(N)=O)CC1.
What is the InChIKey of 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is IFIOCPMPNGFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-12-4-6-22(7-5-12)10-16-21-18-17(19(25)23(16)9-15(20)24)13(11-27-18)14-3-2-8-26-14/h2-3,8,11-12H,4-7,9-10H2,1H3,(H2,20,24).
What are the key properties of 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide?
2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 402.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 8883033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).