3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C13H17FN4S — CID 105389303

IUPAC3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C13H17FN4S/c1-9-17-11(8-19-9)7-18(3)13-12(14)10(6-15-2)4-5-16-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyAKTAEOIBEHWFGK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.34
Rot. Bonds5

About 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 105389303) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID105389303
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC Name3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C13H17FN4S/c1-9-17-11(8-19-9)7-18(3)13-12(14)10(6-15-2)4-5-16-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyAKTAEOIBEHWFGK-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
N,4,6-trimethyl-3-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 62282505
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 105385242
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62282160
2-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811999
N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62255905
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105389511

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 105389303) is 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is CNCc1ccnc(N(C)Cc2csc(C)n2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is AKTAEOIBEHWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-9-17-11(8-19-9)7-18(3)13-12(14)10(6-15-2)4-5-16-13/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 105389303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).