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

C15H21FN4S — CID 105389300

IUPAC3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C15H21FN4S/c1-4-6-17-8-12-5-7-18-15(14(12)16)20(3)9-13-10-21-11(2)19-13/h5,7,10,17H,4,6,8-9H2,1-3H3
InChIKeyOICGFZUTHHSSTE-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.12
Rot. Bonds7

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

3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 105389300) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
PubChem CID105389300
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC Name3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C15H21FN4S/c1-4-6-17-8-12-5-7-18-15(14(12)16)20(3)9-13-10-21-11(2)19-13/h5,7,10,17H,4,6,8-9H2,1-3H3
InChIKeyOICGFZUTHHSSTE-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 105389303
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850335
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850346
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N-[[1-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62428469
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine (CID 105389300) is 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)Cc2csc(C)n2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is OICGFZUTHHSSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-4-6-17-8-12-5-7-18-15(14(12)16)20(3)9-13-10-21-11(2)19-13/h5,7,10,17H,4,6,8-9H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine?
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 308.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105389300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).