N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C4H6FN3S — CID 178103613

IUPACN-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)F)s1
InChIInChI=1S/C4H6FN3S/c1-3-6-7-4(9-3)8(2)5/h1-2H3
InChIKeyQQZDJFUGODGPOL-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.17
Rot. Bonds1

About N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 178103613) has the molecular formula C4H6FN3S and a molecular weight of 147.18 g/mol. Its IUPAC name is N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID178103613
Molecular FormulaC4H6FN3S
Molecular Weight147.18 g/mol
Exact Mass147.03
IUPAC NameN-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)F)s1
InChIInChI=1S/C4H6FN3S/c1-3-6-7-4(9-3)8(2)5/h1-2H3
InChIKeyQQZDJFUGODGPOL-UHFFFAOYSA-N
XLogP1.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 178103613) is N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)F)s1.
What is the InChIKey of N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QQZDJFUGODGPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3S/c1-3-6-7-4(9-3)8(2)5/h1-2H3.
What are the key properties of N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 147.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 178103613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).