1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine

C13H15BrN2S — CID 79838986

IUPAC1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
SMILESCc1sc(CN(C)C)nc1-c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2S/c1-9-13(10-5-4-6-11(14)7-10)15-12(17-9)8-16(2)3/h4-7H,8H2,1-3H3
InChIKeyWLHRAOUXKFULJN-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.94
Rot. Bonds3

About 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine

1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 79838986) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
PubChem CID79838986
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
SMILESCc1sc(CN(C)C)nc1-c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2S/c1-9-13(10-5-4-6-11(14)7-10)15-12(17-9)8-16(2)3/h4-7H,8H2,1-3H3
InChIKeyWLHRAOUXKFULJN-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine (CID 79838986) is 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine is Cc1sc(CN(C)C)nc1-c1cccc(Br)c1.
What is the InChIKey of 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is WLHRAOUXKFULJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-13(10-5-4-6-11(14)7-10)15-12(17-9)8-16(2)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 79838986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).