1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H17BrN2S — CID 103083903

IUPAC1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Br)cc2C)nc1C1CC1
InChIInChI=1S/C15H17BrN2S/c1-9-7-11(16)5-6-12(9)15-18-14(10-3-4-10)13(19-15)8-17-2/h5-7,10,17H,3-4,8H2,1-2H3
InChIKeyAZRNTDMFZSFMLJ-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.48
Rot. Bonds4

About 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103083903) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103083903
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Br)cc2C)nc1C1CC1
InChIInChI=1S/C15H17BrN2S/c1-9-7-11(16)5-6-12(9)15-18-14(10-3-4-10)13(19-15)8-17-2/h5-7,10,17H,3-4,8H2,1-2H3
InChIKeyAZRNTDMFZSFMLJ-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103083903) is 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(Br)cc2C)nc1C1CC1.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is AZRNTDMFZSFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-9-7-11(16)5-6-12(9)15-18-14(10-3-4-10)13(19-15)8-17-2/h5-7,10,17H,3-4,8H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103083903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).