4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine

C12H16FN3S — CID 112562533

IUPAC4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(F)(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C12H16FN3S/c13-12(3-1-9(14)2-4-12)7-10-8-16-5-6-17-11(16)15-10/h5-6,8-9H,1-4,7,14H2
InChIKeyAQRBBWVRYWSGKV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.55
Rot. Bonds2

About 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine

4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine (PubChem CID 112562533) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
PubChem CID112562533
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(F)(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C12H16FN3S/c13-12(3-1-9(14)2-4-12)7-10-8-16-5-6-17-11(16)15-10/h5-6,8-9H,1-4,7,14H2
InChIKeyAQRBBWVRYWSGKV-UHFFFAOYSA-N
XLogP2.55
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115333027
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-propylcycloheptan-1-amine
CID 115333031
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116540779
4-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 115335060
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
CID 113289332

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine (CID 112562533) is 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine is NC1CCC(F)(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine?
The InChIKey is AQRBBWVRYWSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c13-12(3-1-9(14)2-4-12)7-10-8-16-5-6-17-11(16)15-10/h5-6,8-9H,1-4,7,14H2.
What are the key properties of 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine?
4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 112562533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).