1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C13H15BrN2S — CID 60696428

IUPAC1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyNCHPGDAUUGFIPK-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 60696428) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID60696428
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyNCHPGDAUUGFIPK-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61168873
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 60696428) is 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CCC(NCc1cscn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is NCHPGDAUUGFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-13(10-3-5-11(14)6-4-10)15-7-12-8-17-9-16-12/h3-6,8-9,13,15H,2,7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 60696428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).