N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C15H20BrN3S — CID 62779800

IUPACN-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2ccc(Br)cc2)sc1CNC
InChIInChI=1S/C15H20BrN3S/c1-4-13-14(9-17-2)20-15(18-13)19(3)10-11-5-7-12(16)8-6-11/h5-8,17H,4,9-10H2,1-3H3
InChIKeyNRYAITHZVDEKPB-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.82
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62779800) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62779800
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)Cc2ccc(Br)cc2)sc1CNC
InChIInChI=1S/C15H20BrN3S/c1-4-13-14(9-17-2)20-15(18-13)19(3)10-11-5-7-12(16)8-6-11/h5-8,17H,4,9-10H2,1-3H3
InChIKeyNRYAITHZVDEKPB-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62779800) is N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)Cc2ccc(Br)cc2)sc1CNC.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is NRYAITHZVDEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-4-13-14(9-17-2)20-15(18-13)19(3)10-11-5-7-12(16)8-6-11/h5-8,17H,4,9-10H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 354.32 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).