N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C16H19N3OS — CID 82155285

IUPACN-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-10-3-5-12(6-4-10)18-15(20)11(2)16-19-13-7-8-17-9-14(13)21-16/h3-6,11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeySOXZRGLJIYRNES-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.84
Rot. Bonds3

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

N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 82155285) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
PubChem CID82155285
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C16H19N3OS/c1-10-3-5-12(6-4-10)18-15(20)11(2)16-19-13-7-8-17-9-14(13)21-16/h3-6,11,17H,7-9H2,1-2H3,(H,18,20)
InChIKeySOXZRGLJIYRNES-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The IUPAC name of N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 82155285) is N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is Cc1ccc(NC(=O)C(C)c2nc3c(s2)CNCC3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
The InChIKey is SOXZRGLJIYRNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-3-5-12(6-4-10)18-15(20)11(2)16-19-13-7-8-17-9-14(13)21-16/h3-6,11,17H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?
N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 301.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 82155285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).