1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine

C16H19FN2S2 — CID 80524197

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCS1
InChIInChI=1S/C16H19FN2S2/c1-16(7-2-8-21-16)11-18-9-14-10-20-15(19-14)12-3-5-13(17)6-4-12/h3-6,10,18H,2,7-9,11H2,1H3
InChIKeyIQQASHZUKKTXNK-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.32
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80524197) has the molecular formula C16H19FN2S2 and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80524197
Molecular FormulaC16H19FN2S2
Molecular Weight322.47 g/mol
Exact Mass322.10
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCS1
InChIInChI=1S/C16H19FN2S2/c1-16(7-2-8-21-16)11-18-9-14-10-20-15(19-14)12-3-5-13(17)6-4-12/h3-6,10,18H,2,7-9,11H2,1H3
InChIKeyIQQASHZUKKTXNK-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
N-[(2-methylthiolan-2-yl)methyl]-1-quinolin-2-ylmethanamine
CID 80528780
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119154892
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
N-[(2-methylthiolan-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 80723291
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80524197) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine is CC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCS1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is IQQASHZUKKTXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S2/c1-16(7-2-8-21-16)11-18-9-14-10-20-15(19-14)12-3-5-13(17)6-4-12/h3-6,10,18H,2,7-9,11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 322.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80524197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).