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

C21H22N3OS+ — CID 8550745

IUPACN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2
InChIInChI=1S/C21H21N3OS/c1-15-7-5-6-10-17(15)20(25)23-21-22-18-11-12-24(14-19(18)26-21)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,22,23,25)/p+1
InChIKeyYTFVKPSBDJCLGS-UHFFFAOYSA-O
MW364.49 g/mol
LogP2.85
Rot. Bonds4

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

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide (PubChem CID 8550745) has the molecular formula C21H22N3OS+ and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide
PubChem CID8550745
Molecular FormulaC21H22N3OS+
Molecular Weight364.49 g/mol
Exact Mass364.15
IUPAC NameN-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2
InChIInChI=1S/C21H21N3OS/c1-15-7-5-6-10-17(15)20(25)23-21-22-18-11-12-24(14-19(18)26-21)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,22,23,25)/p+1
InChIKeyYTFVKPSBDJCLGS-UHFFFAOYSA-O
XLogP2.85
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide
CID 8890951
N-[3-[(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)amino]-3-oxopropyl]benzamide
CID 2682986
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 2683000
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2386259
(3S)-N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8012341
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-(3-ethylphenoxy)acetamide
CID 2635803
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26841267
2-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetate
CID 28942172
N-[2-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 17437177
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
2-naphthalen-1-yl-N-(5-propyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)acetamide
CID 8550637
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide?
The IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide (CID 8550745) is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2.
What is the InChIKey of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide?
The InChIKey is YTFVKPSBDJCLGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21N3OS/c1-15-7-5-6-10-17(15)20(25)23-21-22-18-11-12-24(14-19(18)26-21)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,22,23,25)/p+1.
What are the key properties of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide?
N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-methylbenzamide is sourced from PubChem (CID 8550745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).