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

C10H14F2N2S — CID 146435255

IUPAC4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnc(C(F)F)s2)CC1
InChIInChI=1S/C10H14F2N2S/c11-9(12)10-14-5-8(15-10)6-1-3-7(13)4-2-6/h5-7,9H,1-4,13H2
InChIKeyLBAIMYXDAXDYKJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.07
Rot. Bonds2

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

4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 146435255) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID146435255
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2cnc(C(F)F)s2)CC1
InChIInChI=1S/C10H14F2N2S/c11-9(12)10-14-5-8(15-10)6-1-3-7(13)4-2-6/h5-7,9H,1-4,13H2
InChIKeyLBAIMYXDAXDYKJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 146435255) is 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is NC1CCC(c2cnc(C(F)F)s2)CC1.
What is the InChIKey of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is LBAIMYXDAXDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c11-9(12)10-14-5-8(15-10)6-1-3-7(13)4-2-6/h5-7,9H,1-4,13H2.
What are the key properties of 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 146435255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).