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

C14H14ClN3S — CID 43763042

IUPAC2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2scc(C)n2c1CNc1ccccc1Cl
InChIInChI=1S/C14H14ClN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3
InChIKeyBFYARRRHNBNWLW-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.28
Rot. Bonds3

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

2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 43763042) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID43763042
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2scc(C)n2c1CNc1ccccc1Cl
InChIInChI=1S/C14H14ClN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3
InChIKeyBFYARRRHNBNWLW-UHFFFAOYSA-N
XLogP4.28
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43772146
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
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
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
CID 43761570
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305515
(1R)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401969
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
CID 65108373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 43763042) is 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1nc2scc(C)n2c1CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is BFYARRRHNBNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 291.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 43763042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).