N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H11F5N4S — CID 166810497

IUPACN-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(F)(F)[C@H]1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F5N4S/c1-18-3-2-8(10,11)5(18)4-15-7-17-16-6(19-7)9(12,13)14/h5H,2-4H2,1H3,(H,15,17)/t5-/m1/s1
InChIKeyMNPHQBKBFDAWIV-RXMQYKEDSA-N
MW302.27 g/mol
LogP2.31
Rot. Bonds3

About N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 166810497) has the molecular formula C9H11F5N4S and a molecular weight of 302.27 g/mol. Its IUPAC name is N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID166810497
Molecular FormulaC9H11F5N4S
Molecular Weight302.27 g/mol
Exact Mass302.06
IUPAC NameN-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(F)(F)[C@H]1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F5N4S/c1-18-3-2-8(10,11)5(18)4-15-7-17-16-6(19-7)9(12,13)14/h5H,2-4H2,1H3,(H,15,17)/t5-/m1/s1
InChIKeyMNPHQBKBFDAWIV-RXMQYKEDSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 166810497) is N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN1CCC(F)(F)[C@H]1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MNPHQBKBFDAWIV-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11F5N4S/c1-18-3-2-8(10,11)5(18)4-15-7-17-16-6(19-7)9(12,13)14/h5H,2-4H2,1H3,(H,15,17)/t5-/m1/s1.
What are the key properties of N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 302.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 166810497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).