5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine

C14H17BrN2S — CID 107577222

IUPAC5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(C)cc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-3-4-12-13(18-14(16)17-12)8-10-5-9(2)6-11(15)7-10/h5-7H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyGMRXIARMRMWEAM-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.34
Rot. Bonds4

About 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 107577222) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID107577222
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(C)cc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-3-4-12-13(18-14(16)17-12)8-10-5-9(2)6-11(15)7-10/h5-7H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyGMRXIARMRMWEAM-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 107577222) is 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1cc(C)cc(Br)c1.
What is the InChIKey of 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is GMRXIARMRMWEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-4-12-13(18-14(16)17-12)8-10-5-9(2)6-11(15)7-10/h5-7H,3-4,8H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 325.28 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107577222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).