cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine

C10H14F3N3S — CID 168827412

IUPACcis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine
SMILESN[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)8-5-15-9(17-8)16-7-3-1-2-6(14)4-7/h5-7H,1-4,14H2,(H,15,16)/t6-,7+/m0/s1
InChIKeyQPISEOOELMOSPI-NKWVEPMBSA-N
MW265.30 g/mol
LogP2.84
Rot. Bonds2

About cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine

cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine (PubChem CID 168827412) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Namecis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine
PubChem CID168827412
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Namecis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine
SMILESN[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)8-5-15-9(17-8)16-7-3-1-2-6(14)4-7/h5-7H,1-4,14H2,(H,15,16)/t6-,7+/m0/s1
InChIKeyQPISEOOELMOSPI-NKWVEPMBSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine?
The IUPAC name of cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine (CID 168827412) is cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine.
What is the SMILES notation for cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine?
The canonical SMILES for cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine is N[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine?
The InChIKey is QPISEOOELMOSPI-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)8-5-15-9(17-8)16-7-3-1-2-6(14)4-7/h5-7H,1-4,14H2,(H,15,16)/t6-,7+/m0/s1.
What are the key properties of cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine?
cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine has a molecular weight of 265.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexane-1,3-diamine is sourced from PubChem (CID 168827412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).