5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C11H13FN4S — CID 80606202

IUPAC5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)c2cccc(F)c2)s1
InChIInChI=1S/C11H13FN4S/c1-13-11-15-14-10(17-11)7-16(2)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyIMQXBCZTEJTGEN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.36
Rot. Bonds4

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

5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606202) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80606202
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)c2cccc(F)c2)s1
InChIInChI=1S/C11H13FN4S/c1-13-11-15-14-10(17-11)7-16(2)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyIMQXBCZTEJTGEN-UHFFFAOYSA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80614477
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
N-ethyl-5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606393
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine
CID 62209276
5-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260
N-ethyl-5-[(4-ethyl-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80607542
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80606202) is 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(C)c2cccc(F)c2)s1.
What is the InChIKey of 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IMQXBCZTEJTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-13-11-15-14-10(17-11)7-16(2)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).