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

C14H14FN3S — CID 94698961

IUPAC2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine
SMILESCc1cc(-c2c(CCN)sc3nccn23)ccc1F
InChIInChI=1S/C14H14FN3S/c1-9-8-10(2-3-11(9)15)13-12(4-5-16)19-14-17-6-7-18(13)14/h2-3,6-8H,4-5,16H2,1H3
InChIKeyPKNQPPUIEPGNIB-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.01
Rot. Bonds3

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

2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine (PubChem CID 94698961) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine
PubChem CID94698961
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine
SMILESCc1cc(-c2c(CCN)sc3nccn23)ccc1F
InChIInChI=1S/C14H14FN3S/c1-9-8-10(2-3-11(9)15)13-12(4-5-16)19-14-17-6-7-18(13)14/h2-3,6-8H,4-5,16H2,1H3
InChIKeyPKNQPPUIEPGNIB-UHFFFAOYSA-N
XLogP3.01
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 94697644
[3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
CID 94697335
[3-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanamine
CID 94697340
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
CID 110872199

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine (CID 94698961) is 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine is Cc1cc(-c2c(CCN)sc3nccn23)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine?
The InChIKey is PKNQPPUIEPGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-9-8-10(2-3-11(9)15)13-12(4-5-16)19-14-17-6-7-18(13)14/h2-3,6-8H,4-5,16H2,1H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine?
2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine is sourced from PubChem (CID 94698961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).