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

C7H14Cl2N2S — CID 50944361

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCc1nc(C(C)N)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H
InChIKeySBIWNHGRRGXRIO-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.62
Rot. Bonds1

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (PubChem CID 50944361) has the molecular formula C7H14Cl2N2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
PubChem CID50944361
Molecular FormulaC7H14Cl2N2S
Molecular Weight229.18 g/mol
Exact Mass228.03
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride
SMILESCc1nc(C(C)N)c(C)s1.Cl.Cl
InChIInChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H
InChIKeySBIWNHGRRGXRIO-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride (CID 50944361) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is Cc1nc(C(C)N)c(C)s1.Cl.Cl.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is SBIWNHGRRGXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.2ClH/c1-4(8)7-5(2)10-6(3)9-7;;/h4H,8H2,1-3H3;2*1H.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride?
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 229.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 50944361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).