N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine

C15H20BrN3S — CID 62752560

IUPACN-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)Cc2cccc(Br)c2)s1
InChIInChI=1S/C15H20BrN3S/c1-4-17-11(2)14-9-18-15(20-14)19(3)10-12-6-5-7-13(16)8-12/h5-9,11,17H,4,10H2,1-3H3
InChIKeyOLYWCBVMMPVVSQ-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine

N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 62752560) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID62752560
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)Cc2cccc(Br)c2)s1
InChIInChI=1S/C15H20BrN3S/c1-4-17-11(2)14-9-18-15(20-14)19(3)10-12-6-5-7-13(16)8-12/h5-9,11,17H,4,10H2,1-3H3
InChIKeyOLYWCBVMMPVVSQ-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-bromophenyl)methyl-methylamino]-1,3-thiazol-5-yl]ethanol
CID 55111987
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55112162
5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754993
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62754150
5-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63840146
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64542716

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 62752560) is N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(C)Cc2cccc(Br)c2)s1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OLYWCBVMMPVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-4-17-11(2)14-9-18-15(20-14)19(3)10-12-6-5-7-13(16)8-12/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine?
N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 354.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62752560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).