1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone

C19H20N4OS2 — CID 1153167

IUPAC1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccccc4)nsc23)C1
InChIInChI=1S/C19H20N4OS2/c1-13-6-5-9-23(10-13)15(24)11-25-19-18-17(20-12-21-19)16(22-26-18)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t13-/m1/s1
InChIKeyHSQGIAPIROJOFJ-CYBMUJFWSA-N
MW384.53 g/mol
LogP4.10
Rot. Bonds4

About 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone

1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone (PubChem CID 1153167) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
PubChem CID1153167
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccccc4)nsc23)C1
InChIInChI=1S/C19H20N4OS2/c1-13-6-5-9-23(10-13)15(24)11-25-19-18-17(20-12-21-19)16(22-26-18)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t13-/m1/s1
InChIKeyHSQGIAPIROJOFJ-CYBMUJFWSA-N
XLogP4.10
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone 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

ethyl 2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetate
CID 1153171
1-(azepan-1-yl)-2-[(3-thiophen-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
CID 1453107
N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 43812738
N-cyclohexyl-2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453078
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanone
CID 1150059
2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453072
2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 1445221
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 40625942
2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7402483
1-[(3S)-3-methylpiperidin-1-yl]-2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethanone
CID 7637521
2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N,N-diphenylacetamide
CID 3177730
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 7841263

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone (CID 1153167) is 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone is C[C@@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccccc4)nsc23)C1.
What is the InChIKey of 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone?
The InChIKey is HSQGIAPIROJOFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-13-6-5-9-23(10-13)15(24)11-25-19-18-17(20-12-21-19)16(22-26-18)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone?
1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone has a molecular weight of 384.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperidin-1-yl]-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone is sourced from PubChem (CID 1153167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).