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

C12H13BrN2OS — CID 154735624

IUPACN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2sncc2Br)c1
InChIInChI=1S/C12H13BrN2OS/c1-16-10-4-2-3-9(5-10)6-14-8-12-11(13)7-15-17-12/h2-5,7,14H,6,8H2,1H3
InChIKeyNQVPFYOFQHEJIM-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.20
Rot. Bonds5

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

N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 154735624) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID154735624
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC NameN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2sncc2Br)c1
InChIInChI=1S/C12H13BrN2OS/c1-16-10-4-2-3-9(5-10)6-14-8-12-11(13)7-15-17-12/h2-5,7,14H,6,8H2,1H3
InChIKeyNQVPFYOFQHEJIM-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine (CID 154735624) is N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2sncc2Br)c1.
What is the InChIKey of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is NQVPFYOFQHEJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-16-10-4-2-3-9(5-10)6-14-8-12-11(13)7-15-17-12/h2-5,7,14H,6,8H2,1H3.
What are the key properties of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 313.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 154735624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).