N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C16H19N3OS — CID 82155312

IUPACN-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nc2c(s1)CNCC2
InChIInChI=1S/C16H19N3OS/c1-19(11-12-5-3-2-4-6-12)16(20)9-15-18-13-7-8-17-10-14(13)21-15/h2-6,17H,7-11H2,1H3
InChIKeyCSEFSYUZZRFGPG-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.99
Rot. Bonds4

About N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 82155312) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID82155312
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nc2c(s1)CNCC2
InChIInChI=1S/C16H19N3OS/c1-19(11-12-5-3-2-4-6-12)16(20)9-15-18-13-7-8-17-10-14(13)21-15/h2-6,17H,7-11H2,1H3
InChIKeyCSEFSYUZZRFGPG-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 82155311
N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 82155194
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanone
CID 82155295
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 126835263
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62693672
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
sodium 2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetate
CID 71755869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 82155312) is N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CN(Cc1ccccc1)C(=O)Cc1nc2c(s1)CNCC2.
What is the InChIKey of N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is CSEFSYUZZRFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(11-12-5-3-2-4-6-12)16(20)9-15-18-13-7-8-17-10-14(13)21-15/h2-6,17H,7-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 82155312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).