2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C14H15N3S — CID 39195092

IUPAC2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3ncc(CCN)n23)cc1
InChIInChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyINIIGAAPUNPVBZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195092) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195092
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3ncc(CCN)n23)cc1
InChIInChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyINIIGAAPUNPVBZ-UHFFFAOYSA-N
XLogP2.87
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
Pifithrin-Beta
CID 443278
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195092) is 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1ccc(-c2csc3ncc(CCN)n23)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is INIIGAAPUNPVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-2-4-11(5-3-10)13-9-18-14-16-8-12(6-7-15)17(13)14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 257.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).