3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C13H12IN3S — CID 43773324

IUPAC3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2sccn2c1CNc1cccc(I)c1
InChIInChI=1S/C13H12IN3S/c1-9-12(17-5-6-18-13(17)16-9)8-15-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3
InChIKeySKBVMUYFENEPLM-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.92
Rot. Bonds3

About 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 43773324) has the molecular formula C13H12IN3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID43773324
Molecular FormulaC13H12IN3S
Molecular Weight369.23 g/mol
Exact Mass368.98
IUPAC Name3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2sccn2c1CNc1cccc(I)c1
InChIInChI=1S/C13H12IN3S/c1-9-12(17-5-6-18-13(17)16-9)8-15-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3
InChIKeySKBVMUYFENEPLM-UHFFFAOYSA-N
XLogP3.92
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
CID 43762471
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-iodoaniline
CID 43773323
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
CID 43780738
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60942648
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-nitroaniline
CID 43785802
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 43773324) is 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1nc2sccn2c1CNc1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is SKBVMUYFENEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3S/c1-9-12(17-5-6-18-13(17)16-9)8-15-11-4-2-3-10(14)7-11/h2-7,15H,8H2,1H3.
What are the key properties of 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 369.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 43773324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).