[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride

C10H11ClN2S — CID 171380508

IUPAC[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(-c2csc(CN)n2)c([2H])c1[2H]
InChIInChI=1S/C10H10N2S.ClH/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H/i1D,2D,3D,4D,5D;
InChIKeyZWKCELLWMIJOLL-GWVWGMRQSA-N
MW231.76 g/mol
LogP2.69
Rot. Bonds2

About [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride

[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 171380508) has the molecular formula C10H11ClN2S and a molecular weight of 231.76 g/mol. Its IUPAC name is [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID171380508
Molecular FormulaC10H11ClN2S
Molecular Weight231.76 g/mol
Exact Mass231.06
IUPAC Name[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.[2H]c1c([2H])c([2H])c(-c2csc(CN)n2)c([2H])c1[2H]
InChIInChI=1S/C10H10N2S.ClH/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H/i1D,2D,3D,4D,5D;
InChIKeyZWKCELLWMIJOLL-GWVWGMRQSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
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[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82281663
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
[4-[4-(1-adamantyl)phenyl]-1,3-thiazol-2-yl]methanamine;hydrobromide
CID 162671953
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
(4-iodo-1,3-thiazol-2-yl)methanamine
CID 148764752
5-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-dimethylbenzimidazol-2-one
CID 96680068
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 171380508) is [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.[2H]c1c([2H])c([2H])c(-c2csc(CN)n2)c([2H])c1[2H].
What is the InChIKey of [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is ZWKCELLWMIJOLL-GWVWGMRQSA-N. The full InChI is InChI=1S/C10H10N2S.ClH/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H/i1D,2D,3D,4D,5D;.
What are the key properties of [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 231.76 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 171380508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).