4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine

C12H14FN3OS — CID 113324953

IUPAC4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(OC)cc1F
InChIInChI=1S/C12H14FN3OS/c1-3-6-14-12-11(15-18-16-12)9-5-4-8(17-2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,16)
InChIKeySMNQACCEDVFKOQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.17
Rot. Bonds5

About 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine

4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 113324953) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID113324953
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccc(OC)cc1F
InChIInChI=1S/C12H14FN3OS/c1-3-6-14-12-11(15-18-16-12)9-5-4-8(17-2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,16)
InChIKeySMNQACCEDVFKOQ-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 113324953) is 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1ccc(OC)cc1F.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is SMNQACCEDVFKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-3-6-14-12-11(15-18-16-12)9-5-4-8(17-2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 267.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 113324953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).