N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C17H17BrN2OS — CID 75449533

IUPACN-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNC(c2ccc(Br)cc2)c2ccco2)cs1
InChIInChI=1S/C17H17BrN2OS/c1-12-20-15(11-22-12)8-9-19-17(16-3-2-10-21-16)13-4-6-14(18)7-5-13/h2-7,10-11,17,19H,8-9H2,1H3
InChIKeyUZYSADAMEBSADK-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.73
Rot. Bonds6

About N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 75449533) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID75449533
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC NameN-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNC(c2ccc(Br)cc2)c2ccco2)cs1
InChIInChI=1S/C17H17BrN2OS/c1-12-20-15(11-22-12)8-9-19-17(16-3-2-10-21-16)13-4-6-14(18)7-5-13/h2-7,10-11,17,19H,8-9H2,1H3
InChIKeyUZYSADAMEBSADK-UHFFFAOYSA-N
XLogP4.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
CID 103729425
1-(1,3-benzodioxol-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777111
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932669
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 75449533) is N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CCNC(c2ccc(Br)cc2)c2ccco2)cs1.
What is the InChIKey of N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is UZYSADAMEBSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2OS/c1-12-20-15(11-22-12)8-9-19-17(16-3-2-10-21-16)13-4-6-14(18)7-5-13/h2-7,10-11,17,19H,8-9H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 377.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(furan-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 75449533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).