1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C15H21F2N3S — CID 105174092

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H21F2N3S/c1-2-18-13(11-3-5-15(16,17)6-4-11)9-12-10-20-7-8-21-14(20)19-12/h7-8,10-11,13,18H,2-6,9H2,1H3
InChIKeyGGOHIEXFPYSWPQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.74
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 105174092) has the molecular formula C15H21F2N3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID105174092
Molecular FormulaC15H21F2N3S
Molecular Weight313.42 g/mol
Exact Mass313.14
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCCNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H21F2N3S/c1-2-18-13(11-3-5-15(16,17)6-4-11)9-12-10-20-7-8-21-14(20)19-12/h7-8,10-11,13,18H,2-6,9H2,1H3
InChIKeyGGOHIEXFPYSWPQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 105174092) is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is CCNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is GGOHIEXFPYSWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3S/c1-2-18-13(11-3-5-15(16,17)6-4-11)9-12-10-20-7-8-21-14(20)19-12/h7-8,10-11,13,18H,2-6,9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 313.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 105174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).