N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C15H19BrN2S — CID 105402371

IUPACN-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C15H19BrN2S/c1-9(2)17-14(15-18-11(4)8-19-15)12-6-5-10(3)13(16)7-12/h5-9,14,17H,1-4H3
InChIKeySNXVKNUXDGOSMW-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.61
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 105402371) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID105402371
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccc(C)c(Br)c2)n1
InChIInChI=1S/C15H19BrN2S/c1-9(2)17-14(15-18-11(4)8-19-15)12-6-5-10(3)13(16)7-12/h5-9,14,17H,1-4H3
InChIKeySNXVKNUXDGOSMW-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 105402371) is N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is SNXVKNUXDGOSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9(2)17-14(15-18-11(4)8-19-15)12-6-5-10(3)13(16)7-12/h5-9,14,17H,1-4H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 105402371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).