2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride

C7H12Cl2N2S — CID 86767535

IUPAC2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(C2CCCN2)n1
InChIInChI=1S/C7H10N2S.2ClH/c1-2-6(8-3-1)7-9-4-5-10-7;;/h4-6,8H,1-3H2;2*1H
InChIKeyGQYINDHFBHMDDN-UHFFFAOYSA-N
MW227.16 g/mol
LogP2.41
Rot. Bonds1

About 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride

2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride (PubChem CID 86767535) has the molecular formula C7H12Cl2N2S and a molecular weight of 227.16 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride
PubChem CID86767535
Molecular FormulaC7H12Cl2N2S
Molecular Weight227.16 g/mol
Exact Mass226.01
IUPAC Name2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(C2CCCN2)n1
InChIInChI=1S/C7H10N2S.2ClH/c1-2-6(8-3-1)7-9-4-5-10-7;;/h4-6,8H,1-3H2;2*1H
InChIKeyGQYINDHFBHMDDN-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride (CID 86767535) is 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride is Cl.Cl.c1csc(C2CCCN2)n1.
What is the InChIKey of 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride?
The InChIKey is GQYINDHFBHMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.2ClH/c1-2-6(8-3-1)7-9-4-5-10-7;;/h4-6,8H,1-3H2;2*1H.
What are the key properties of 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride?
2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride has a molecular weight of 227.16 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 86767535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).