N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C14H15BrF2N2S — CID 106268147

IUPACN-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)ccc(Br)c1F)c1cncs1
InChIInChI=1S/C14H15BrF2N2S/c1-2-5-19-12(13-7-18-8-20-13)6-9-11(16)4-3-10(15)14(9)17/h3-4,7-8,12,19H,2,5-6H2,1H3
InChIKeyGFCQLGIDWKPGFE-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 106268147) has the molecular formula C14H15BrF2N2S and a molecular weight of 361.26 g/mol. Its IUPAC name is N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID106268147
Molecular FormulaC14H15BrF2N2S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC NameN-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)ccc(Br)c1F)c1cncs1
InChIInChI=1S/C14H15BrF2N2S/c1-2-5-19-12(13-7-18-8-20-13)6-9-11(16)4-3-10(15)14(9)17/h3-4,7-8,12,19H,2,5-6H2,1H3
InChIKeyGFCQLGIDWKPGFE-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 106942877
N-[2-(3-bromo-2,6-difluorophenyl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 106268168
N-[2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 106274329
1-(3-bromo-2,6-difluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 106267363
1-(3-bromo-2,6-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 106274055
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 106271662
[2-(2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253934
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 114167019
[2-(3-bromo-2,6-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 106271793
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 106268490
1-(3-bromo-2,6-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 106267109
1-(3-bromo-2,6-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 106267485

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 106268147) is N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)ccc(Br)c1F)c1cncs1.
What is the InChIKey of N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is GFCQLGIDWKPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2S/c1-2-5-19-12(13-7-18-8-20-13)6-9-11(16)4-3-10(15)14(9)17/h3-4,7-8,12,19H,2,5-6H2,1H3.
What are the key properties of N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 361.26 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106268147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).