US11608337, Example 39

C21H21N3OS — CID 132085792

IUPAC2-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]acetamide
SMILESCC1=C(C=CC=C1C2=NC3=C(S2)CNCC3)C4=CC=CC(=C4)CC(=O)N
InChIInChI=1S/C21H21N3OS/c1-13-16(15-5-2-4-14(10-15)11-20(22)25)6-3-7-17(13)21-24-18-8-9-23-12-19(18)26-21/h2-7,10,23H,8-9,11-12H2,1H3,(H2,22,25)
InChIKeyFLLVBMNADRRCSL-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.90
Rot. Bonds4

About US11608337, Example 39

US11608337, Example 39 (PubChem CID 132085792) has the molecular formula C21H21N3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameUS11608337, Example 39
PubChem CID132085792
Molecular FormulaC21H21N3OS
Molecular Weight363.50 g/mol
Exact Mass363.14
IUPAC Name2-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]acetamide
SMILESCC1=C(C=CC=C1C2=NC3=C(S2)CNCC3)C4=CC=CC(=C4)CC(=O)N
InChIInChI=1S/C21H21N3OS/c1-13-16(15-5-2-4-14(10-15)11-20(22)25)6-3-7-17(13)21-24-18-8-9-23-12-19(18)26-21/h2-7,10,23H,8-9,11-12H2,1H3,(H2,22,25)
InChIKeyFLLVBMNADRRCSL-UHFFFAOYSA-N
XLogP2.90
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity502

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 132085809
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
CID 10388027
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl}butan-1-one
CID 10412922
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-methyl-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645938
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645940
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645941
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(methylsulfanyl)phenyl]-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645942
N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 71563366
US11608337, Example 8
CID 132085759
US11608337, Example 38
CID 132085772
US11608337, Example 32
CID 132085789
US11608337, Example 4
CID 132085808

Frequently Asked Questions

What is the IUPAC name of US11608337, Example 39?
The IUPAC name of US11608337, Example 39 (CID 132085792) is 2-[3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for US11608337, Example 39?
The canonical SMILES for US11608337, Example 39 is CC1=C(C=CC=C1C2=NC3=C(S2)CNCC3)C4=CC=CC(=C4)CC(=O)N.
What is the InChIKey of US11608337, Example 39?
The InChIKey is FLLVBMNADRRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-13-16(15-5-2-4-14(10-15)11-20(22)25)6-3-7-17(13)21-24-18-8-9-23-12-19(18)26-21/h2-7,10,23H,8-9,11-12H2,1H3,(H2,22,25).
What are the key properties of US11608337, Example 39?
US11608337, Example 39 has a molecular weight of 363.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for US11608337, Example 39 is sourced from PubChem (CID 132085792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).