(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride

C6H12Cl2N2S — CID 46736898

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride
SMILESCc1nc(C)c(CN)s1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-4-6(3-7)9-5(2)8-4;;/h3,7H2,1-2H3;2*1H
InChIKeyBAXJSYXKOHKTBE-UHFFFAOYSA-N
MW215.15 g/mol
LogP2.06
Rot. Bonds1

About (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride

(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride (PubChem CID 46736898) has the molecular formula C6H12Cl2N2S and a molecular weight of 215.15 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride
PubChem CID46736898
Molecular FormulaC6H12Cl2N2S
Molecular Weight215.15 g/mol
Exact Mass214.01
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride
SMILESCc1nc(C)c(CN)s1.Cl.Cl
InChIInChI=1S/C6H10N2S.2ClH/c1-4-6(3-7)9-5(2)8-4;;/h3,7H2,1-2H3;2*1H
InChIKeyBAXJSYXKOHKTBE-UHFFFAOYSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride (CID 46736898) is (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride is Cc1nc(C)c(CN)s1.Cl.Cl.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is BAXJSYXKOHKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.2ClH/c1-4-6(3-7)9-5(2)8-4;;/h3,7H2,1-2H3;2*1H.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride?
(2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride has a molecular weight of 215.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 46736898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).