(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

C22H23N3OS2 — CID 169238319

IUPAC(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESC=C(C)c1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)nc(SC)c12
InChIInChI=1S/C22H23N3OS2/c1-14(2)16-17-20(27-3)23-19(15-10-6-4-7-11-15)24-21(17)28-18(16)22(26)25-12-8-5-9-13-25/h4,6-7,10-11H,1,5,8-9,12-13H2,2-3H3
InChIKeyWEYQGPMPTXMMRT-UHFFFAOYSA-N
MW409.58 g/mol
LogP5.74
Rot. Bonds4

About (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (PubChem CID 169238319) has the molecular formula C22H23N3OS2 and a molecular weight of 409.58 g/mol. Its IUPAC name is (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
PubChem CID169238319
Molecular FormulaC22H23N3OS2
Molecular Weight409.58 g/mol
Exact Mass409.13
IUPAC Name(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESC=C(C)c1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)nc(SC)c12
InChIInChI=1S/C22H23N3OS2/c1-14(2)16-17-20(27-3)23-19(15-10-6-4-7-11-15)24-21(17)28-18(16)22(26)25-12-8-5-9-13-25/h4,6-7,10-11H,1,5,8-9,12-13H2,2-3H3
InChIKeyWEYQGPMPTXMMRT-UHFFFAOYSA-N
XLogP5.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-iodo-4-methylsulfanyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 169238336
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 35177384
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
3,6-diamino-2-(azepane-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23744146
[7-phenyl-12-(trifluoromethyl)-10-thia-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-11-yl]-piperidin-1-ylmethanone
CID 176849235
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
[5-(methylamino)-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
CID 142146680

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (CID 169238319) is (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is C=C(C)c1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)nc(SC)c12.
What is the InChIKey of (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is WEYQGPMPTXMMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS2/c1-14(2)16-17-20(27-3)23-19(15-10-6-4-7-11-15)24-21(17)28-18(16)22(26)25-12-8-5-9-13-25/h4,6-7,10-11H,1,5,8-9,12-13H2,2-3H3.
What are the key properties of (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 409.58 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 169238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).