[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C14H17BrN2OS — CID 106951176

IUPAC[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccc(OC)c(Br)c2)sc1CN
InChIInChI=1S/C14H17BrN2OS/c1-3-4-11-13(8-16)19-14(17-11)9-5-6-12(18-2)10(15)7-9/h5-7H,3-4,8,16H2,1-2H3
InChIKeyPKYXHNMIFOSMFR-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.99
Rot. Bonds5

About [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 106951176) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID106951176
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccc(OC)c(Br)c2)sc1CN
InChIInChI=1S/C14H17BrN2OS/c1-3-4-11-13(8-16)19-14(17-11)9-5-6-12(18-2)10(15)7-9/h5-7H,3-4,8,16H2,1-2H3
InChIKeyPKYXHNMIFOSMFR-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
2-(3-bromo-4-methoxyphenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116888995
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106951184
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
2-[2-[2-(3-butoxy-4-methoxyphenyl)-5-propyl-1,3-thiazol-4-yl]ethyl]pyrimidine-4,6-diamine
CID 122492018
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 106951176) is [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(-c2ccc(OC)c(Br)c2)sc1CN.
What is the InChIKey of [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is PKYXHNMIFOSMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-4-11-13(8-16)19-14(17-11)9-5-6-12(18-2)10(15)7-9/h5-7H,3-4,8,16H2,1-2H3.
What are the key properties of [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 341.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106951176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).