[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C22H23N3S — CID 82367613

IUPAC[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C22H23N3S/c1-22(2,3)17-11-9-16(10-12-17)20-18(13-23)25-14-19(26-21(25)24-20)15-7-5-4-6-8-15/h4-12,14H,13,23H2,1-3H3
InChIKeyRMFCUJOMADLTQL-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.49
Rot. Bonds3

About [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 82367613) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID82367613
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C22H23N3S/c1-22(2,3)17-11-9-16(10-12-17)20-18(13-23)25-14-19(26-21(25)24-20)15-7-5-4-6-8-15/h4-12,14H,13,23H2,1-3H3
InChIKeyRMFCUJOMADLTQL-UHFFFAOYSA-N
XLogP5.49
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367673
[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367601
[6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367605
[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367642
[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367652
[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367621
[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367681
[2-(4-tert-butylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060626
[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199304
2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155280682
(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 50878423
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 82367613) is [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CC(C)(C)c1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1.
What is the InChIKey of [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is RMFCUJOMADLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-22(2,3)17-11-9-16(10-12-17)20-18(13-23)25-14-19(26-21(25)24-20)15-7-5-4-6-8-15/h4-12,14H,13,23H2,1-3H3.
What are the key properties of [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 361.51 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 82367613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).