N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C13H16FN3S — CID 64543560

IUPACN-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3S/c1-9(15-2)12-8-18-13(16-12)17(3)11-6-4-5-10(14)7-11/h4-9,15H,1-3H3
InChIKeyPZUCMPGMHVNMSI-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.33
Rot. Bonds4

About N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64543560) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64543560
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H16FN3S/c1-9(15-2)12-8-18-13(16-12)17(3)11-6-4-5-10(14)7-11/h4-9,15H,1-3H3
InChIKeyPZUCMPGMHVNMSI-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 64543560) is N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1csc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is PZUCMPGMHVNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(15-2)12-8-18-13(16-12)17(3)11-6-4-5-10(14)7-11/h4-9,15H,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64543560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).