N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H19FN2S2 — CID 66083649

IUPACN-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CSc2ccccc2F)s1
InChIInChI=1S/C15H19FN2S2/c1-15(2,3)18-9-11-8-17-14(20-11)10-19-13-7-5-4-6-12(13)16/h4-8,18H,9-10H2,1-3H3
InChIKeyQGSDSIGKKFTJHK-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.46
Rot. Bonds5

About N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66083649) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID66083649
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC NameN-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CSc2ccccc2F)s1
InChIInChI=1S/C15H19FN2S2/c1-15(2,3)18-9-11-8-17-14(20-11)10-19-13-7-5-4-6-12(13)16/h4-8,18H,9-10H2,1-3H3
InChIKeyQGSDSIGKKFTJHK-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 66084449
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65138358
1-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 66144678
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82805503
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194045
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883167
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66051369

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 66083649) is N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(CSc2ccccc2F)s1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QGSDSIGKKFTJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-15(2,3)18-9-11-8-17-14(20-11)10-19-13-7-5-4-6-12(13)16/h4-8,18H,9-10H2,1-3H3.
What are the key properties of N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66083649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).