2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C12H13FN2S — CID 60697544

IUPAC2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESFc1cccc(CCNCc2cscn2)c1
InChIInChI=1S/C12H13FN2S/c13-11-3-1-2-10(6-11)4-5-14-7-12-8-16-9-15-12/h1-3,6,8-9,14H,4-5,7H2
InChIKeyNUTVETLUBZDMNE-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.61
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 60697544) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID60697544
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESFc1cccc(CCNCc2cscn2)c1
InChIInChI=1S/C12H13FN2S/c13-11-3-1-2-10(6-11)4-5-14-7-12-8-16-9-15-12/h1-3,6,8-9,14H,4-5,7H2
InChIKeyNUTVETLUBZDMNE-UHFFFAOYSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115526517
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 115596018
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81145010
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43401980
5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79544897

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 60697544) is 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Fc1cccc(CCNCc2cscn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is NUTVETLUBZDMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-11-3-1-2-10(6-11)4-5-14-7-12-8-16-9-15-12/h1-3,6,8-9,14H,4-5,7H2.
What are the key properties of 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 236.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60697544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).