N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C10H13F2N3S — CID 103516978

IUPACN-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C10H13F2N3S/c1-2-13-8(9(11)12)5-7-6-15-3-4-16-10(15)14-7/h3-4,6,8-9,13H,2,5H2,1H3
InChIKeyBCOXTIUZMRAYJI-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 103516978) has the molecular formula C10H13F2N3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID103516978
Molecular FormulaC10H13F2N3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C10H13F2N3S/c1-2-13-8(9(11)12)5-7-6-15-3-4-16-10(15)14-7/h3-4,6,8-9,13H,2,5H2,1H3
InChIKeyBCOXTIUZMRAYJI-UHFFFAOYSA-N
XLogP2.18
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 103516978) is N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is CCNC(Cc1cn2ccsc2n1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is BCOXTIUZMRAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3S/c1-2-13-8(9(11)12)5-7-6-15-3-4-16-10(15)14-7/h3-4,6,8-9,13H,2,5H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 103516978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).