3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine

C10H15FN2S — CID 126985741

IUPAC3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
SMILESCc1cc(C2(F)CCCC(N)C2)sn1
InChIInChI=1S/C10H15FN2S/c1-7-5-9(14-13-7)10(11)4-2-3-8(12)6-10/h5,8H,2-4,6,12H2,1H3
InChIKeyDHGKSKKTHRBZLB-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.52
Rot. Bonds1

About 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine

3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine (PubChem CID 126985741) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
PubChem CID126985741
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
SMILESCc1cc(C2(F)CCCC(N)C2)sn1
InChIInChI=1S/C10H15FN2S/c1-7-5-9(14-13-7)10(11)4-2-3-8(12)6-10/h5,8H,2-4,6,12H2,1H3
InChIKeyDHGKSKKTHRBZLB-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine (CID 126985741) is 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine is Cc1cc(C2(F)CCCC(N)C2)sn1.
What is the InChIKey of 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The InChIKey is DHGKSKKTHRBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-7-5-9(14-13-7)10(11)4-2-3-8(12)6-10/h5,8H,2-4,6,12H2,1H3.
What are the key properties of 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 126985741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).