N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine

C14H18FN3S — CID 79712401

IUPACN-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCc1nc(CC(NC(C)C)c2ccc(F)cn2)cs1
InChIInChI=1S/C14H18FN3S/c1-9(2)17-14(6-12-8-19-10(3)18-12)13-5-4-11(15)7-16-13/h4-5,7-9,14,17H,6H2,1-3H3
InChIKeyTZPNTQIUYYVFNB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.27
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine

N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine (PubChem CID 79712401) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
PubChem CID79712401
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCc1nc(CC(NC(C)C)c2ccc(F)cn2)cs1
InChIInChI=1S/C14H18FN3S/c1-9(2)17-14(6-12-8-19-10(3)18-12)13-5-4-11(15)7-16-13/h4-5,7-9,14,17H,6H2,1-3H3
InChIKeyTZPNTQIUYYVFNB-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-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

N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 79712406
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
CID 79713467
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-quinoxalin-2-ylethanamine
CID 107357241
N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
CID 79751590
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105158966
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105394886

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine (CID 79712401) is N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine is Cc1nc(CC(NC(C)C)c2ccc(F)cn2)cs1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The InChIKey is TZPNTQIUYYVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-9(2)17-14(6-12-8-19-10(3)18-12)13-5-4-11(15)7-16-13/h4-5,7-9,14,17H,6H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).