N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride

C17H22ClN3O2S — CID 154906934

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CNCCO1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2S.ClH/c21-16(9-15-11-18-6-7-22-15)19-10-14-12-23-17(20-14)8-13-4-2-1-3-5-13;/h1-5,12,15,18H,6-11H2,(H,19,21);1H
InChIKeyYHMFHBBYASELBP-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.15
Rot. Bonds6

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride (PubChem CID 154906934) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
PubChem CID154906934
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CNCCO1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2S.ClH/c21-16(9-15-11-18-6-7-22-15)19-10-14-12-23-17(20-14)8-13-4-2-1-3-5-13;/h1-5,12,15,18H,6-11H2,(H,19,21);1H
InChIKeyYHMFHBBYASELBP-UHFFFAOYSA-N
XLogP2.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-2-yl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 118769258
2-[(2S)-morpholin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 125175454
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
N-(1,3-benzothiazol-2-ylmethyl)-2-[(2R)-morpholin-2-yl]acetamide
CID 124515478
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
2-morpholin-2-yl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170232
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119730032
N-[(5-ethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119727879

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride (CID 154906934) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CNCCO1)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
The InChIKey is YHMFHBBYASELBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c21-16(9-15-11-18-6-7-22-15)19-10-14-12-23-17(20-14)8-13-4-2-1-3-5-13;/h1-5,12,15,18H,6-11H2,(H,19,21);1H.
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-morpholin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 154906934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).