N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide

C16H19N3O2S — CID 110675165

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-11-22-16(17-12)18-15(20)10-13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20)
InChIKeyYPRBJTALILHQES-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.47
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 110675165) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
PubChem CID110675165
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1csc(NC(=O)Cc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-11-22-16(17-12)18-15(20)10-13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20)
InChIKeyYPRBJTALILHQES-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620258
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
2-(3,4-dihydro-2H-chromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110771186
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18140925
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide (CID 110675165) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide is Cc1csc(NC(=O)Cc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is YPRBJTALILHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-11-22-16(17-12)18-15(20)10-13-2-4-14(5-3-13)19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 110675165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).