1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride

C6H13Cl2N3S — CID 71758438

IUPAC1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1nc(C(N)CN)cs1.Cl.Cl
InChIInChI=1S/C6H11N3S.2ClH/c1-4-9-6(3-10-4)5(8)2-7;;/h3,5H,2,7-8H2,1H3;2*1H
InChIKeyVAUDLEUZCFRTBV-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride

1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 71758438) has the molecular formula C6H13Cl2N3S and a molecular weight of 230.16 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID71758438
Molecular FormulaC6H13Cl2N3S
Molecular Weight230.16 g/mol
Exact Mass229.02
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride
SMILESCc1nc(C(N)CN)cs1.Cl.Cl
InChIInChI=1S/C6H11N3S.2ClH/c1-4-9-6(3-10-4)5(8)2-7;;/h3,5H,2,7-8H2,1H3;2*1H
InChIKeyVAUDLEUZCFRTBV-UHFFFAOYSA-N
XLogP1.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride (CID 71758438) is 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride is Cc1nc(C(N)CN)cs1.Cl.Cl.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is VAUDLEUZCFRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.2ClH/c1-4-9-6(3-10-4)5(8)2-7;;/h3,5H,2,7-8H2,1H3;2*1H.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride?
1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 230.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 71758438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).