N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

C15H17BrN2OS — CID 53272918

IUPACN-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESBrc1cccc(-c2cnc(CNCC3CCCO3)s2)c1
InChIInChI=1S/C15H17BrN2OS/c16-12-4-1-3-11(7-12)14-9-18-15(20-14)10-17-8-13-5-2-6-19-13/h1,3-4,7,9,13,17H,2,5-6,8,10H2
InChIKeyUREUSWALYIALII-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.84
Rot. Bonds5

About N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 53272918) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID53272918
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESBrc1cccc(-c2cnc(CNCC3CCCO3)s2)c1
InChIInChI=1S/C15H17BrN2OS/c16-12-4-1-3-11(7-12)14-9-18-15(20-14)10-17-8-13-5-2-6-19-13/h1,3-4,7,9,13,17H,2,5-6,8,10H2
InChIKeyUREUSWALYIALII-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 53272680
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272863
N-[[5-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 53272137
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572
N-[(2,5-dibromophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 114369310
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
2-(3-bromophenoxy)-N-(oxan-2-ylmethyl)ethanamine
CID 55014516
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
3-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212805
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 53272918) is N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is Brc1cccc(-c2cnc(CNCC3CCCO3)s2)c1.
What is the InChIKey of N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is UREUSWALYIALII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-12-4-1-3-11(7-12)14-9-18-15(20-14)10-17-8-13-5-2-6-19-13/h1,3-4,7,9,13,17H,2,5-6,8,10H2.
What are the key properties of N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 353.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 53272918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).