4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride

C6H8Cl2N4S2 — CID 139065608

IUPAC4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride
SMILESNc1[nH+]c(-c2csc(N)[nH+]2)cs1.[Cl-].[Cl-]
InChIInChI=1S/C6H6N4S2.2ClH/c7-5-9-3(1-11-5)4-2-12-6(8)10-4;;/h1-2H,(H2,7,9)(H2,8,10);2*1H
InChIKeyWAMKWGVBHWRLKL-UHFFFAOYSA-N
MW271.20 g/mol
LogP-5.72
Rot. Bonds1

About 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride

4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride (PubChem CID 139065608) has the molecular formula C6H8Cl2N4S2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride
PubChem CID139065608
Molecular FormulaC6H8Cl2N4S2
Molecular Weight271.20 g/mol
Exact Mass269.96
IUPAC Name4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride
SMILESNc1[nH+]c(-c2csc(N)[nH+]2)cs1.[Cl-].[Cl-]
InChIInChI=1S/C6H6N4S2.2ClH/c7-5-9-3(1-11-5)4-2-12-6(8)10-4;;/h1-2H,(H2,7,9)(H2,8,10);2*1H
InChIKeyWAMKWGVBHWRLKL-UHFFFAOYSA-N
XLogP-5.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 5-5.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride?
The IUPAC name of 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride (CID 139065608) is 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride?
The canonical SMILES for 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride is Nc1[nH+]c(-c2csc(N)[nH+]2)cs1.[Cl-].[Cl-].
What is the InChIKey of 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride?
The InChIKey is WAMKWGVBHWRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S2.2ClH/c7-5-9-3(1-11-5)4-2-12-6(8)10-4;;/h1-2H,(H2,7,9)(H2,8,10);2*1H.
What are the key properties of 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride?
4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride has a molecular weight of 271.20 g/mol, XLogP of -5.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-3-ium-4-yl)-1,3-thiazol-3-ium-2-amine dichloride is sourced from PubChem (CID 139065608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).