N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H18FN3S — CID 114363649

IUPACN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2ccncc2F)sc1CNCC
InChIInChI=1S/C14H18FN3S/c1-3-5-12-13(9-16-4-2)19-14(18-12)10-6-7-17-8-11(10)15/h6-8,16H,3-5,9H2,1-2H3
InChIKeyJKXUJKBDMAKDCS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.41
Rot. Bonds6

About N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114363649) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114363649
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2ccncc2F)sc1CNCC
InChIInChI=1S/C14H18FN3S/c1-3-5-12-13(9-16-4-2)19-14(18-12)10-6-7-17-8-11(10)15/h6-8,16H,3-5,9H2,1-2H3
InChIKeyJKXUJKBDMAKDCS-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364551
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
N-[[4-tert-butyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362695
2-methyl-N-[[2-(3-methyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364680
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364454
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364657
N-[[2-(4-chloro-2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106819798

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114363649) is N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(-c2ccncc2F)sc1CNCC.
What is the InChIKey of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JKXUJKBDMAKDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-3-5-12-13(9-16-4-2)19-14(18-12)10-6-7-17-8-11(10)15/h6-8,16H,3-5,9H2,1-2H3.
What are the key properties of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114363649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).