N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F3N3S — CID 104924624

IUPACN-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H10F3N3S/c1-7(2-3-7)4-12-6-14-13-5(15-6)8(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyQHHMIYQCZDPRBU-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds3

About N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924624) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924624
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H10F3N3S/c1-7(2-3-7)4-12-6-14-13-5(15-6)8(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyQHHMIYQCZDPRBU-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924624) is N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1(CNc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QHHMIYQCZDPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-7(2-3-7)4-12-6-14-13-5(15-6)8(9,10)11/h2-4H2,1H3,(H,12,14).
What are the key properties of N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).