N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

C17H21N3O2S — CID 6468522

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1C
InChIInChI=1S/C17H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-23-17(18-15)19-16(21)10-20-5-7-22-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyAXHKBPHPWSHVLK-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.70
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 6468522) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID6468522
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1C
InChIInChI=1S/C17H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-23-17(18-15)19-16(21)10-20-5-7-22-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyAXHKBPHPWSHVLK-UHFFFAOYSA-N
XLogP2.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 6468522) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is AXHKBPHPWSHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-3-4-14(9-13(12)2)15-11-23-17(18-15)19-16(21)10-20-5-7-22-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).