N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline

C14H13F2N3S — CID 43761570

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
SMILESCc1nc2scc(C)n2c1CNc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3S/c1-8-7-20-14-18-9(2)13(19(8)14)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3
InChIKeyLOLLMDGCUYPJJF-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.90
Rot. Bonds3

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline (PubChem CID 43761570) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
PubChem CID43761570
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
SMILESCc1nc2scc(C)n2c1CNc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N3S/c1-8-7-20-14-18-9(2)13(19(8)14)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3
InChIKeyLOLLMDGCUYPJJF-UHFFFAOYSA-N
XLogP3.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-iodoaniline
CID 43773323
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethylaniline
CID 43765094
2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43763042
2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43762589
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,6-dimethylphenol
CID 43790156
2,3-dichloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43772146
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373
(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline (CID 43761570) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline is Cc1nc2scc(C)n2c1CNc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline?
The InChIKey is LOLLMDGCUYPJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c1-8-7-20-14-18-9(2)13(19(8)14)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline has a molecular weight of 293.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline is sourced from PubChem (CID 43761570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).