2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline

C14H16N4S — CID 25232704

IUPAC2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline
SMILESCN(C)Cc1csc2nc(-c3ccccc3N)cn12
InChIInChI=1S/C14H16N4S/c1-17(2)7-10-9-19-14-16-13(8-18(10)14)11-5-3-4-6-12(11)15/h3-6,8-9H,7,15H2,1-2H3
InChIKeySQVXNDKSTAMHMP-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline

2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline (PubChem CID 25232704) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline
PubChem CID25232704
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline
SMILESCN(C)Cc1csc2nc(-c3ccccc3N)cn12
InChIInChI=1S/C14H16N4S/c1-17(2)7-10-9-19-14-16-13(8-18(10)14)11-5-3-4-6-12(11)15/h3-6,8-9H,7,15H2,1-2H3
InChIKeySQVXNDKSTAMHMP-UHFFFAOYSA-N
XLogP2.71
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The IUPAC name of 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline (CID 25232704) is 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline is CN(C)Cc1csc2nc(-c3ccccc3N)cn12.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline?
The InChIKey is SQVXNDKSTAMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-17(2)7-10-9-19-14-16-13(8-18(10)14)11-5-3-4-6-12(11)15/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline?
2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline has a molecular weight of 272.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline is sourced from PubChem (CID 25232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).