N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine

C15H19FN2S2 — CID 63806030

IUPACN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1csc(Sc2ccc(F)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H19FN2S2/c1-10-9-19-14(18-10)20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyOSYGMWAGVXSQBS-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.63
Rot. Bonds4

About N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63806030) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63806030
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC NameN-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1csc(Sc2ccc(F)cc2CNC(C)(C)C)n1
InChIInChI=1S/C15H19FN2S2/c1-10-9-19-14(18-10)20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3
InChIKeyOSYGMWAGVXSQBS-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240971
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63807726
3-[2-[(tert-butylamino)methyl]-4-fluorophenyl]sulfanylbutan-2-ol
CID 107772146
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
2-[5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057613
N-[[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63805350
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzonitrile
CID 113256504
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63807872
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217
N-[[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63806004

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (CID 63806030) is N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine is Cc1csc(Sc2ccc(F)cc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OSYGMWAGVXSQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-10-9-19-14(18-10)20-13-6-5-12(16)7-11(13)8-17-15(2,3)4/h5-7,9,17H,8H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63806030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).