N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C10H16FN3S — CID 126856267

IUPACN-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC2(F)CCCC2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)14(2)7-10(11)5-3-4-6-10/h3-7H2,1-2H3
InChIKeyWGFBXUNULDZUSZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.57
Rot. Bonds3

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

N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 126856267) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID126856267
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC NameN-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)CC2(F)CCCC2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)14(2)7-10(11)5-3-4-6-10/h3-7H2,1-2H3
InChIKeyWGFBXUNULDZUSZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 126856267) is N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)CC2(F)CCCC2)s1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WGFBXUNULDZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)14(2)7-10(11)5-3-4-6-10/h3-7H2,1-2H3.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopentyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126856267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).