phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone

C18H18N4OS — CID 125444803

IUPACphenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](Nc2ncnc3sccc23)C1
InChIInChI=1S/C18H18N4OS/c23-18(13-5-2-1-3-6-13)22-9-4-7-14(11-22)21-16-15-8-10-24-17(15)20-12-19-16/h1-3,5-6,8,10,12,14H,4,7,9,11H2,(H,19,20,21)/t14-/m0/s1
InChIKeyOPYQYPZEYCNALL-AWEZNQCLSA-N
MW338.44 g/mol
LogP3.41
Rot. Bonds3

About phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone

phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 125444803) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID125444803
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Namephenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](Nc2ncnc3sccc23)C1
InChIInChI=1S/C18H18N4OS/c23-18(13-5-2-1-3-6-13)22-9-4-7-14(11-22)21-16-15-8-10-24-17(15)20-12-19-16/h1-3,5-6,8,10,12,14H,4,7,9,11H2,(H,19,20,21)/t14-/m0/s1
InChIKeyOPYQYPZEYCNALL-AWEZNQCLSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone 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

6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 135100189
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183
[3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 72870613
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95111509
[(3S)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111503
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 169416731

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 125444803) is phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H](Nc2ncnc3sccc23)C1.
What is the InChIKey of phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is OPYQYPZEYCNALL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(13-5-2-1-3-6-13)22-9-4-7-14(11-22)21-16-15-8-10-24-17(15)20-12-19-16/h1-3,5-6,8,10,12,14H,4,7,9,11H2,(H,19,20,21)/t14-/m0/s1.
What are the key properties of phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone?
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 338.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 125444803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).