1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]

C11H11N3S3 — CID 178080325

IUPAC1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]
SMILESc1csc(-n2ncc3c2C2(CC3)SCCS2)n1
InChIInChI=1S/C11H11N3S3/c1-2-11(16-5-6-17-11)9-8(1)7-13-14(9)10-12-3-4-15-10/h3-4,7H,1-2,5-6H2
InChIKeyRMYQKRYQSUWCRC-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.91
Rot. Bonds1

About 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]

1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole] (PubChem CID 178080325) has the molecular formula C11H11N3S3 and a molecular weight of 281.43 g/mol. Its IUPAC name is 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole].

Molecular Properties

Compound Name1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]
PubChem CID178080325
Molecular FormulaC11H11N3S3
Molecular Weight281.43 g/mol
Exact Mass281.01
IUPAC Name1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]
SMILESc1csc(-n2ncc3c2C2(CC3)SCCS2)n1
InChIInChI=1S/C11H11N3S3/c1-2-11(16-5-6-17-11)9-8(1)7-13-14(9)10-12-3-4-15-10/h3-4,7H,1-2,5-6H2
InChIKeyRMYQKRYQSUWCRC-UHFFFAOYSA-N
XLogP2.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]?
The IUPAC name of 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole] (CID 178080325) is 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole].
What is the SMILES notation for 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]?
The canonical SMILES for 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole] is c1csc(-n2ncc3c2C2(CC3)SCCS2)n1.
What is the InChIKey of 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]?
The InChIKey is RMYQKRYQSUWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S3/c1-2-11(16-5-6-17-11)9-8(1)7-13-14(9)10-12-3-4-15-10/h3-4,7H,1-2,5-6H2.
What are the key properties of 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole]?
1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole] has a molecular weight of 281.43 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,6'-4,5-dihydrocyclopenta[d]pyrazole] is sourced from PubChem (CID 178080325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).