pyrrolo[2,1-b][1,3]thiazole;hydrochloride

C6H6ClNS — CID 141312251

IUPACpyrrolo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1cc2sccn2c1
InChIInChI=1S/C6H5NS.ClH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H
InChIKeySPNPCLBKYLBCQH-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.42
Rot. Bonds

About pyrrolo[2,1-b][1,3]thiazole;hydrochloride

pyrrolo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 141312251) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID141312251
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC Namepyrrolo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1cc2sccn2c1
InChIInChI=1S/C6H5NS.ClH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H
InChIKeySPNPCLBKYLBCQH-UHFFFAOYSA-N
XLogP2.42
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazole;hydrochloride (CID 141312251) is pyrrolo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazole;hydrochloride is Cl.c1cc2sccn2c1.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is SPNPCLBKYLBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS.ClH/c1-2-6-7(3-1)4-5-8-6;/h1-5H;1H.
What are the key properties of pyrrolo[2,1-b][1,3]thiazole;hydrochloride?
pyrrolo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 159.64 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 141312251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).