[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine

C13H12FN3OS — CID 98020701

IUPAC[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
SMILESCOc1ccc(F)cc1-c1csc2nc(CN)cn12
InChIInChI=1S/C13H12FN3OS/c1-18-12-3-2-8(14)4-10(12)11-7-19-13-16-9(5-15)6-17(11)13/h2-4,6-7H,5,15H2,1H3
InChIKeyUMNILKUYJZFVCQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.67
Rot. Bonds3

About [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine

[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine (PubChem CID 98020701) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine.

Molecular Properties

Compound Name[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
PubChem CID98020701
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
SMILESCOc1ccc(F)cc1-c1csc2nc(CN)cn12
InChIInChI=1S/C13H12FN3OS/c1-18-12-3-2-8(14)4-10(12)11-7-19-13-16-9(5-15)6-17(11)13/h2-4,6-7H,5,15H2,1H3
InChIKeyUMNILKUYJZFVCQ-UHFFFAOYSA-N
XLogP2.67
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 96668174
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479014
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 82062066
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
[3-(4-methylthiadiazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82382480
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The IUPAC name of [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine (CID 98020701) is [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine.
What is the SMILES notation for [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The canonical SMILES for [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine is COc1ccc(F)cc1-c1csc2nc(CN)cn12.
What is the InChIKey of [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
The InChIKey is UMNILKUYJZFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-18-12-3-2-8(14)4-10(12)11-7-19-13-16-9(5-15)6-17(11)13/h2-4,6-7H,5,15H2,1H3.
What are the key properties of [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine?
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine is sourced from PubChem (CID 98020701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).