[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C21H21N3S — CID 82367652

IUPAC[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C21H21N3S/c1-2-6-15-9-11-17(12-10-15)20-18(13-22)24-14-19(25-21(24)23-20)16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13,22H2,1H3
InChIKeyYURCWAQOHBMZIU-UHFFFAOYSA-N
MW347.49 g/mol
LogP5.14
Rot. Bonds5

About [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 82367652) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID82367652
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1
InChIInChI=1S/C21H21N3S/c1-2-6-15-9-11-17(12-10-15)20-18(13-22)24-14-19(25-21(24)23-20)16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13,22H2,1H3
InChIKeyYURCWAQOHBMZIU-UHFFFAOYSA-N
XLogP5.14
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367601
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367613
[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
[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367621
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367673
[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367681
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
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 82367652) is [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CCCc1ccc(-c2nc3sc(-c4ccccc4)cn3c2CN)cc1.
What is the InChIKey of [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is YURCWAQOHBMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-2-6-15-9-11-17(12-10-15)20-18(13-22)24-14-19(25-21(24)23-20)16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13,22H2,1H3.
What are the key properties of [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 347.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 82367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).