1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C11H12FN3S — CID 104953648

IUPAC1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cncc(F)c2)s1
InChIInChI=1S/C11H12FN3S/c1-8-15-7-11(16-8)6-14-4-9-2-10(12)5-13-3-9/h2-3,5,7,14H,4,6H2,1H3
InChIKeyNCNWWGQHAJFDDA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.28
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 104953648) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID104953648
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cncc(F)c2)s1
InChIInChI=1S/C11H12FN3S/c1-8-15-7-11(16-8)6-14-4-9-2-10(12)5-13-3-9/h2-3,5,7,14H,4,6H2,1H3
InChIKeyNCNWWGQHAJFDDA-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
CID 104953472
(E)-4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]but-2-en-1-amine
CID 81428994
1-(4-methoxy-3-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280424
1-[4-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60776712
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115627575
1-(4-chlorothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79420261
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 104953801
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
3-fluoro-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzonitrile
CID 61281030
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 119107400

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 104953648) is 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2cncc(F)c2)s1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is NCNWWGQHAJFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-8-15-7-11(16-8)6-14-4-9-2-10(12)5-13-3-9/h2-3,5,7,14H,4,6H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 104953648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).