1,3-thiazole;thiophene

C7H7NS2 — CID 66865528

IUPAC1,3-thiazole;thiophene
SMILESc1ccsc1.c1cscn1
InChIInChI=1S/C4H4S.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H;1-3H
InChIKeyNDNNMJBUIRIZNP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.89
Rot. Bonds

About 1,3-thiazole;thiophene

1,3-thiazole;thiophene (PubChem CID 66865528) has the molecular formula C7H7NS2 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,3-thiazole;thiophene.

Molecular Properties

Compound Name1,3-thiazole;thiophene
PubChem CID66865528
Molecular FormulaC7H7NS2
Molecular Weight169.27 g/mol
Exact Mass169.00
IUPAC Name1,3-thiazole;thiophene
SMILESc1ccsc1.c1cscn1
InChIInChI=1S/C4H4S.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H;1-3H
InChIKeyNDNNMJBUIRIZNP-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole;thiophene?
The IUPAC name of 1,3-thiazole;thiophene (CID 66865528) is 1,3-thiazole;thiophene.
What is the SMILES notation for 1,3-thiazole;thiophene?
The canonical SMILES for 1,3-thiazole;thiophene is c1ccsc1.c1cscn1.
What is the InChIKey of 1,3-thiazole;thiophene?
The InChIKey is NDNNMJBUIRIZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-4H;1-3H.
What are the key properties of 1,3-thiazole;thiophene?
1,3-thiazole;thiophene has a molecular weight of 169.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole;thiophene is sourced from PubChem (CID 66865528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).