N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide

C13H16N4OS — CID 22678824

IUPACN-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ncc(N)s2)cc1
InChIInChI=1S/C13H16N4OS/c1-17(2)10-5-3-9(4-6-10)7-12(18)16-13-15-8-11(14)19-13/h3-6,8H,7,14H2,1-2H3,(H,15,16,18)
InChIKeyBPTFESOBRIGLPS-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.97
Rot. Bonds4

About N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide

N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide (PubChem CID 22678824) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide
PubChem CID22678824
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ncc(N)s2)cc1
InChIInChI=1S/C13H16N4OS/c1-17(2)10-5-3-9(4-6-10)7-12(18)16-13-15-8-11(14)19-13/h3-6,8H,7,14H2,1-2H3,(H,15,16,18)
InChIKeyBPTFESOBRIGLPS-UHFFFAOYSA-N
XLogP1.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide (CID 22678824) is N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(CC(=O)Nc2ncc(N)s2)cc1.
What is the InChIKey of N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is BPTFESOBRIGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(2)10-5-3-9(4-6-10)7-12(18)16-13-15-8-11(14)19-13/h3-6,8H,7,14H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide?
N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3-thiazol-2-yl)-2-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 22678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).