1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine

C16H19FN2S — CID 115994516

IUPAC1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCc1sc(C2(N)CCCCC2)nc1-c1ccccc1F
InChIInChI=1S/C16H19FN2S/c1-11-14(12-7-3-4-8-13(12)17)19-15(20-11)16(18)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10,18H2,1H3
InChIKeyRKBJQRRMXRSUCG-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.38
Rot. Bonds2

About 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine

1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 115994516) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID115994516
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCc1sc(C2(N)CCCCC2)nc1-c1ccccc1F
InChIInChI=1S/C16H19FN2S/c1-11-14(12-7-3-4-8-13(12)17)19-15(20-11)16(18)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10,18H2,1H3
InChIKeyRKBJQRRMXRSUCG-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 115994516) is 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine is Cc1sc(C2(N)CCCCC2)nc1-c1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is RKBJQRRMXRSUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-14(12-7-3-4-8-13(12)17)19-15(20-11)16(18)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10,18H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine?
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 115994516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).