2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine

C10H15F3N4S — CID 102639728

IUPAC2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCCCC1N
InChIInChI=1S/C10H15F3N4S/c1-17(7-5-3-2-4-6(7)14)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyQOQDPNONMZDMCA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.26
Rot. Bonds2

About 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine

2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine (PubChem CID 102639728) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
PubChem CID102639728
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCCCC1N
InChIInChI=1S/C10H15F3N4S/c1-17(7-5-3-2-4-6(7)14)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyQOQDPNONMZDMCA-UHFFFAOYSA-N
XLogP2.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine (CID 102639728) is 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine is CN(c1nnc(C(F)(F)F)s1)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine?
The InChIKey is QOQDPNONMZDMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-17(7-5-3-2-4-6(7)14)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine?
2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 102639728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).