1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine

C15H19FN4S — CID 62751388

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C15H19FN4S/c1-17-10-12-11-18-15(21-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,11,17H,6-10H2,1H3
InChIKeyUVCSVKLLONRIIY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62751388) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62751388
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C15H19FN4S/c1-17-10-12-11-18-15(21-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,11,17H,6-10H2,1H3
InChIKeyUVCSVKLLONRIIY-UHFFFAOYSA-N
XLogP2.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
N-methyl-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63512715
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112159
1-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79184250
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63009426
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
4-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081618
N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3386178
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
2-chloro-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 6986607
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrazin-2-amine
CID 80775737

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62751388) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is UVCSVKLLONRIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-17-10-12-11-18-15(21-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 306.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62751388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).