5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

C14H16BrF2N3S — CID 107609410

IUPAC5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2cc(F)c(Br)cc2F)s1
InChIInChI=1S/C14H16BrF2N3S/c1-3-20(4-2)14-19-8-9(21-14)7-18-13-6-11(16)10(15)5-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyVEFZQJBTJKFYSK-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.64
Rot. Bonds6

About 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 107609410) has the molecular formula C14H16BrF2N3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID107609410
Molecular FormulaC14H16BrF2N3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNc2cc(F)c(Br)cc2F)s1
InChIInChI=1S/C14H16BrF2N3S/c1-3-20(4-2)14-19-8-9(21-14)7-18-13-6-11(16)10(15)5-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3
InChIKeyVEFZQJBTJKFYSK-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromo-4-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 81263479
5-[(2-chloro-4,6-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83072746
5-[(4-bromo-2-chloroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43774908
N,N-diethyl-5-[(4-fluoro-3-methylanilino)methyl]-1,3-thiazol-2-amine
CID 62810541
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
N,N-diethyl-5-[(4-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43759134
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
1-N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778705
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]phenol
CID 43770979

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 107609410) is 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNc2cc(F)c(Br)cc2F)s1.
What is the InChIKey of 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is VEFZQJBTJKFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3S/c1-3-20(4-2)14-19-8-9(21-14)7-18-13-6-11(16)10(15)5-12(13)17/h5-6,8,18H,3-4,7H2,1-2H3.
What are the key properties of 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 376.27 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,5-difluoroanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).