N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide

C23H26N3O2S+ — CID 7315724

IUPACN-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1nc(N(Cc2ccccc2)C(=O)C[NH+]2CCOCC2)sc1-c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-18-22(20-10-6-3-7-11-20)29-23(24-18)26(16-19-8-4-2-5-9-19)21(27)17-25-12-14-28-15-13-25/h2-11H,12-17H2,1H3/p+1
InChIKeyOLDHKJZCGJGZJL-UHFFFAOYSA-O
MW408.55 g/mol
LogP2.57
Rot. Bonds6

About N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide

N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7315724) has the molecular formula C23H26N3O2S+ and a molecular weight of 408.55 g/mol. Its IUPAC name is N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID7315724
Molecular FormulaC23H26N3O2S+
Molecular Weight408.55 g/mol
Exact Mass408.17
IUPAC NameN-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1nc(N(Cc2ccccc2)C(=O)C[NH+]2CCOCC2)sc1-c1ccccc1
InChIInChI=1S/C23H25N3O2S/c1-18-22(20-10-6-3-7-11-20)29-23(24-18)26(16-19-8-4-2-5-9-19)21(27)17-25-12-14-28-15-13-25/h2-11H,12-17H2,1H3/p+1
InChIKeyOLDHKJZCGJGZJL-UHFFFAOYSA-O
XLogP2.57
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
1-[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557237
N-benzyl-N-[5-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135537965
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8548143
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 6957244
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 2112597
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
CID 7615509
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
CID 7622271
2-[3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]phenyl]acetic acid
CID 155911361
2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
CID 6951805
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41108417
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 30971778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide (CID 7315724) is N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide is Cc1nc(N(Cc2ccccc2)C(=O)C[NH+]2CCOCC2)sc1-c1ccccc1.
What is the InChIKey of N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is OLDHKJZCGJGZJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2S/c1-18-22(20-10-6-3-7-11-20)29-23(24-18)26(16-19-8-4-2-5-9-19)21(27)17-25-12-14-28-15-13-25/h2-11H,12-17H2,1H3/p+1.
What are the key properties of N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide?
N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 408.55 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7315724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).