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

C16H19N3OS — CID 82155311

IUPACN-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(NC(=O)Cc1nc2c(s1)CNCC2)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11(12-5-3-2-4-6-12)18-15(20)9-16-19-13-7-8-17-10-14(13)21-16/h2-6,11,17H,7-10H2,1H3,(H,18,20)
InChIKeyCJFIKEVTMYOXBA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.21
Rot. Bonds4

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

N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 82155311) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID82155311
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCC(NC(=O)Cc1nc2c(s1)CNCC2)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11(12-5-3-2-4-6-12)18-15(20)9-16-19-13-7-8-17-10-14(13)21-16/h2-6,11,17H,7-10H2,1H3,(H,18,20)
InChIKeyCJFIKEVTMYOXBA-UHFFFAOYSA-N
XLogP2.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide with MolForge

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Related Compounds

4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 110388295
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 82155311) is N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CC(NC(=O)Cc1nc2c(s1)CNCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is CJFIKEVTMYOXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(12-5-3-2-4-6-12)18-15(20)9-16-19-13-7-8-17-10-14(13)21-16/h2-6,11,17H,7-10H2,1H3,(H,18,20).
What are the key properties of N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
N-(1-phenylethyl)-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 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 82155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).