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

C18H18N2S — CID 62543018

IUPACN-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C18H18N2S/c1-2-19-12-18-20-17(13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3
InChIKeyAKAULAWJVUFXNV-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.59
Rot. Bonds5

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

N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62543018) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62543018
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C18H18N2S/c1-2-19-12-18-20-17(13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3
InChIKeyAKAULAWJVUFXNV-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 115608401
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62543018) is N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is AKAULAWJVUFXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-19-12-18-20-17(13-21-18)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,19H,2,12H2,1H3.
What are the key properties of N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62543018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).