2,3-dihydro-1,3-thiazole;1,3-thiazole

C6H8N2S2 — CID 175217171

IUPAC2,3-dihydro-1,3-thiazole;1,3-thiazole
SMILESC1=CSCN1.c1cscn1
InChIInChI=1S/C3H5NS.C3H3NS/c2*1-2-5-3-4-1/h1-2,4H,3H2;1-3H
InChIKeyCWRYQNBMTABPFE-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.89
Rot. Bonds

About 2,3-dihydro-1,3-thiazole;1,3-thiazole

2,3-dihydro-1,3-thiazole;1,3-thiazole (PubChem CID 175217171) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2,3-dihydro-1,3-thiazole;1,3-thiazole.

Molecular Properties

Compound Name2,3-dihydro-1,3-thiazole;1,3-thiazole
PubChem CID175217171
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2,3-dihydro-1,3-thiazole;1,3-thiazole
SMILESC1=CSCN1.c1cscn1
InChIInChI=1S/C3H5NS.C3H3NS/c2*1-2-5-3-4-1/h1-2,4H,3H2;1-3H
InChIKeyCWRYQNBMTABPFE-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-thiazole;1,3-thiazole?
The IUPAC name of 2,3-dihydro-1,3-thiazole;1,3-thiazole (CID 175217171) is 2,3-dihydro-1,3-thiazole;1,3-thiazole.
What is the SMILES notation for 2,3-dihydro-1,3-thiazole;1,3-thiazole?
The canonical SMILES for 2,3-dihydro-1,3-thiazole;1,3-thiazole is C1=CSCN1.c1cscn1.
What is the InChIKey of 2,3-dihydro-1,3-thiazole;1,3-thiazole?
The InChIKey is CWRYQNBMTABPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NS.C3H3NS/c2*1-2-5-3-4-1/h1-2,4H,3H2;1-3H.
What are the key properties of 2,3-dihydro-1,3-thiazole;1,3-thiazole?
2,3-dihydro-1,3-thiazole;1,3-thiazole has a molecular weight of 172.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-thiazole;1,3-thiazole is sourced from PubChem (CID 175217171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).