N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H25N3O2S — CID 164636116

IUPACN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1OCCc2sccc21
InChIInChI=1S/C18H25N3O2S/c1-12-14(13(2)21(4)19-12)5-6-18(22)20(3)11-16-15-8-10-24-17(15)7-9-23-16/h8,10,16H,5-7,9,11H2,1-4H3/t16-/m0/s1
InChIKeyAXXRIHCADVMIRB-INIZCTEOSA-N
MW347.48 g/mol
LogP2.80
Rot. Bonds5

About N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 164636116) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID164636116
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1OCCc2sccc21
InChIInChI=1S/C18H25N3O2S/c1-12-14(13(2)21(4)19-12)5-6-18(22)20(3)11-16-15-8-10-24-17(15)7-9-23-16/h8,10,16H,5-7,9,11H2,1-4H3/t16-/m0/s1
InChIKeyAXXRIHCADVMIRB-INIZCTEOSA-N
XLogP2.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 164636116) is N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1OCCc2sccc21.
What is the InChIKey of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is AXXRIHCADVMIRB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12-14(13(2)21(4)19-12)5-6-18(22)20(3)11-16-15-8-10-24-17(15)7-9-23-16/h8,10,16H,5-7,9,11H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 347.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 164636116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).