[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine

C14H18FN3S — CID 64768539

IUPAC[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1ncsc1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H18FN3S/c1-10-14(19-9-17-10)8-18(2)7-12-5-13(15)4-3-11(12)6-16/h3-5,9H,6-8,16H2,1-2H3
InChIKeyCZGTYIQSMCAWSC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.68
Rot. Bonds5

About [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine

[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 64768539) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
PubChem CID64768539
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1ncsc1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H18FN3S/c1-10-14(19-9-17-10)8-18(2)7-12-5-13(15)4-3-11(12)6-16/h3-5,9H,6-8,16H2,1-2H3
InChIKeyCZGTYIQSMCAWSC-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64763592
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
3-fluoro-N'-hydroxy-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 77009486
3-fluoro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63837980
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009
2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63840153
[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 55256757
1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819
3-chloro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzonitrile
CID 102665510
3-chloro-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 102666263

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine (CID 64768539) is [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine is Cc1ncsc1CN(C)Cc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is CZGTYIQSMCAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-10-14(19-9-17-10)8-18(2)7-12-5-13(15)4-3-11(12)6-16/h3-5,9H,6-8,16H2,1-2H3.
What are the key properties of [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine?
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 64768539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).