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

C9H14FN3S — CID 130893025

IUPACN-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC2(F)CC2)s1
InChIInChI=1S/C9H14FN3S/c1-6(2)7-12-13-8(14-7)11-5-9(10)3-4-9/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyJBACDTMRSMNDJD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds4

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

N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 130893025) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID130893025
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCC2(F)CC2)s1
InChIInChI=1S/C9H14FN3S/c1-6(2)7-12-13-8(14-7)11-5-9(10)3-4-9/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyJBACDTMRSMNDJD-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 130893025) is N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCC2(F)CC2)s1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is JBACDTMRSMNDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-6(2)7-12-13-8(14-7)11-5-9(10)3-4-9/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130893025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).