2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole

C11H8N4S2 — CID 10978217

IUPAC2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole
SMILESc1csc(C2=NN=C(c3nccs3)[C@@H]3C[C@H]23)n1
InChIInChI=1S/C11H8N4S2/c1-3-16-10(12-1)8-6-5-7(6)9(15-14-8)11-13-2-4-17-11/h1-4,6-7H,5H2/t6-,7+
InChIKeyWUUHAYIKFFIWNJ-KNVOCYPGSA-N
MW260.35 g/mol
LogP2.44
Rot. Bonds2

About 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole

2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole (PubChem CID 10978217) has the molecular formula C11H8N4S2 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole
PubChem CID10978217
Molecular FormulaC11H8N4S2
Molecular Weight260.35 g/mol
Exact Mass260.02
IUPAC Name2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole
SMILESc1csc(C2=NN=C(c3nccs3)[C@@H]3C[C@H]23)n1
InChIInChI=1S/C11H8N4S2/c1-3-16-10(12-1)8-6-5-7(6)9(15-14-8)11-13-2-4-17-11/h1-4,6-7H,5H2/t6-,7+
InChIKeyWUUHAYIKFFIWNJ-KNVOCYPGSA-N
XLogP2.44
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole (CID 10978217) is 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole is c1csc(C2=NN=C(c3nccs3)[C@@H]3C[C@H]23)n1.
What is the InChIKey of 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole?
The InChIKey is WUUHAYIKFFIWNJ-KNVOCYPGSA-N. The full InChI is InChI=1S/C11H8N4S2/c1-3-16-10(12-1)8-6-5-7(6)9(15-14-8)11-13-2-4-17-11/h1-4,6-7H,5H2/t6-,7+.
What are the key properties of 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole?
2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole has a molecular weight of 260.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole is sourced from PubChem (CID 10978217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).