3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline

C13H13N3OS2 — CID 115335454

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
SMILESCc1c(N)cccc1S(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-9-11(14)3-2-4-12(9)19(17)8-10-7-16-5-6-18-13(16)15-10/h2-7H,8,14H2,1H3
InChIKeyZDSXDPLBMKFORG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.59
Rot. Bonds3

About 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline (PubChem CID 115335454) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
PubChem CID115335454
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
SMILESCc1c(N)cccc1S(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-9-11(14)3-2-4-12(9)19(17)8-10-7-16-5-6-18-13(16)15-10/h2-7H,8,14H2,1H3
InChIKeyZDSXDPLBMKFORG-UHFFFAOYSA-N
XLogP2.59
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335436
2-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335456
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
CID 115335482
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
4-[(3-amino-2-methylphenyl)sulfinylmethyl]phenol
CID 81191302
3-[(3,4-dichlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190387
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-5-methylthiophene-2-carboxylate
CID 115334073
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456501
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline (CID 115335454) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline is Cc1c(N)cccc1S(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline?
The InChIKey is ZDSXDPLBMKFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-9-11(14)3-2-4-12(9)19(17)8-10-7-16-5-6-18-13(16)15-10/h2-7H,8,14H2,1H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline has a molecular weight of 291.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline is sourced from PubChem (CID 115335454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).