1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine

C12H14FN3S — CID 61035316

IUPAC1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1csnn1
InChIInChI=1S/C12H14FN3S/c1-9(14-7-12-8-17-16-15-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyQRUOBLJNMUTZTO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine

1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine (PubChem CID 61035316) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
PubChem CID61035316
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1csnn1
InChIInChI=1S/C12H14FN3S/c1-9(14-7-12-8-17-16-15-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyQRUOBLJNMUTZTO-UHFFFAOYSA-N
XLogP2.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine (CID 61035316) is 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1csnn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The InChIKey is QRUOBLJNMUTZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-9(14-7-12-8-17-16-15-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 61035316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).