N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C8H14FN3S — CID 130731275

IUPACN-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@@H](C)CF)n1
InChIInChI=1S/C8H14FN3S/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1
InChIKeyGYYKPSPZNATXLR-LURJTMIESA-N
MW203.29 g/mol
LogP2.43
Rot. Bonds4

About N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 130731275) has the molecular formula C8H14FN3S and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID130731275
Molecular FormulaC8H14FN3S
Molecular Weight203.29 g/mol
Exact Mass203.09
IUPAC NameN-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@@H](C)CF)n1
InChIInChI=1S/C8H14FN3S/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1
InChIKeyGYYKPSPZNATXLR-LURJTMIESA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 130731275) is N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N[C@@H](C)CF)n1.
What is the InChIKey of N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GYYKPSPZNATXLR-LURJTMIESA-N. The full InChI is InChI=1S/C8H14FN3S/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4H2,1-3H3,(H,10,11,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130731275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).