[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride

C16H16Cl2N2S — CID 20983786

IUPAC[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2S.2ClH/c17-10-13-8-4-5-9-14(13)16-18-15(11-19-16)12-6-2-1-3-7-12;;/h1-9,11H,10,17H2;2*1H
InChIKeyNRELGWGLHQZFPV-UHFFFAOYSA-N
MW339.29 g/mol
LogP4.78
Rot. Bonds3

About [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride

[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride (PubChem CID 20983786) has the molecular formula C16H16Cl2N2S and a molecular weight of 339.29 g/mol. Its IUPAC name is [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
PubChem CID20983786
Molecular FormulaC16H16Cl2N2S
Molecular Weight339.29 g/mol
Exact Mass338.04
IUPAC Name[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N2S.2ClH/c17-10-13-8-4-5-9-14(13)16-18-15(11-19-16)12-6-2-1-3-7-12;;/h1-9,11H,10,17H2;2*1H
InChIKeyNRELGWGLHQZFPV-UHFFFAOYSA-N
XLogP4.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 52983593
ethane;(2-phenylphenyl)methanamine
CID 142592948
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
CID 110450447
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride (CID 20983786) is [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccccc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is NRELGWGLHQZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S.2ClH/c17-10-13-8-4-5-9-14(13)16-18-15(11-19-16)12-6-2-1-3-7-12;;/h1-9,11H,10,17H2;2*1H.
What are the key properties of [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride?
[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 339.29 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 20983786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).