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

C15H17FN2S — CID 97178754

IUPACN-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2csc(C3CCC3)n2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-6-4-11(5-7-13)8-17-9-14-10-19-15(18-14)12-2-1-3-12/h4-7,10,12,17H,1-3,8-9H2
InChIKeyBVJQSGIXSONFLB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.84
Rot. Bonds5

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

N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 97178754) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID97178754
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2csc(C3CCC3)n2)cc1
InChIInChI=1S/C15H17FN2S/c16-13-6-4-11(5-7-13)8-17-9-14-10-19-15(18-14)12-2-1-3-12/h4-7,10,12,17H,1-3,8-9H2
InChIKeyBVJQSGIXSONFLB-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105
trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 95324709
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
1-(4-cyclopropylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79978863
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 97178754) is N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2csc(C3CCC3)n2)cc1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is BVJQSGIXSONFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-13-6-4-11(5-7-13)8-17-9-14-10-19-15(18-14)12-2-1-3-12/h4-7,10,12,17H,1-3,8-9H2.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 97178754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).