4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

C11H17FN2S — CID 112562412

IUPAC4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CC2(F)CCC(N)CC2)cs1
InChIInChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)6-11(12)4-2-9(13)3-5-11/h7,9H,2-6,13H2,1H3
InChIKeyHBWQMJNHNZKHQK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.60
Rot. Bonds2

About 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 112562412) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID112562412
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CC2(F)CCC(N)CC2)cs1
InChIInChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)6-11(12)4-2-9(13)3-5-11/h7,9H,2-6,13H2,1H3
InChIKeyHBWQMJNHNZKHQK-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (CID 112562412) is 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is Cc1nc(CC2(F)CCC(N)CC2)cs1.
What is the InChIKey of 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is HBWQMJNHNZKHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8-14-10(7-15-8)6-11(12)4-2-9(13)3-5-11/h7,9H,2-6,13H2,1H3.
What are the key properties of 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 112562412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).