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

C10H12Cl2N2S — CID 13196628

IUPAC(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2S.2ClH/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8;;/h1-5,7H,6,11H2;2*1H
InChIKeyIIJKGDUNHSXLGJ-UHFFFAOYSA-N
MW263.19 g/mol
LogP3.11
Rot. Bonds2

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

(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride (PubChem CID 13196628) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
PubChem CID13196628
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C10H10N2S.2ClH/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8;;/h1-5,7H,6,11H2;2*1H
InChIKeyIIJKGDUNHSXLGJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
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2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
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N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 115528203
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
(2-phenyl-1,3-thiazol-4-yl)methyl N'-aminocarbamimidothioate
CID 77060944

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride (CID 13196628) is (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride is Cl.Cl.NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride?
The InChIKey is IIJKGDUNHSXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.2ClH/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8;;/h1-5,7H,6,11H2;2*1H.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride?
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride has a molecular weight of 263.19 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 13196628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).