2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine

C8H9F2N3S — CID 115406811

IUPAC2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
SMILESFC(F)CNCc1cn2ccsc2n1
InChIInChI=1S/C8H9F2N3S/c9-7(10)4-11-3-6-5-13-1-2-14-8(13)12-6/h1-2,5,7,11H,3-4H2
InChIKeyHGCDPFFFCPOFCH-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.75
Rot. Bonds4

About 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine

2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine (PubChem CID 115406811) has the molecular formula C8H9F2N3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
PubChem CID115406811
Molecular FormulaC8H9F2N3S
Molecular Weight217.24 g/mol
Exact Mass217.05
IUPAC Name2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
SMILESFC(F)CNCc1cn2ccsc2n1
InChIInChI=1S/C8H9F2N3S/c9-7(10)4-11-3-6-5-13-1-2-14-8(13)12-6/h1-2,5,7,11H,3-4H2
InChIKeyHGCDPFFFCPOFCH-UHFFFAOYSA-N
XLogP1.75
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
methyl 2-chloro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)propanoate
CID 103491939
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115331632
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine (CID 115406811) is 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine is FC(F)CNCc1cn2ccsc2n1.
What is the InChIKey of 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The InChIKey is HGCDPFFFCPOFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3S/c9-7(10)4-11-3-6-5-13-1-2-14-8(13)12-6/h1-2,5,7,11H,3-4H2.
What are the key properties of 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine has a molecular weight of 217.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine is sourced from PubChem (CID 115406811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).