4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine

C10H11N3S2 — CID 140938231

IUPAC4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine
SMILESc1nc2c(SC3CCCC3)cnnc2s1
InChIInChI=1S/C10H11N3S2/c1-2-4-7(3-1)15-8-5-12-13-10-9(8)11-6-14-10/h5-7H,1-4H2
InChIKeyOMJFRLAWGABLMC-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.12
Rot. Bonds2

About 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine

4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine (PubChem CID 140938231) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine
PubChem CID140938231
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine
SMILESc1nc2c(SC3CCCC3)cnnc2s1
InChIInChI=1S/C10H11N3S2/c1-2-4-7(3-1)15-8-5-12-13-10-9(8)11-6-14-10/h5-7H,1-4H2
InChIKeyOMJFRLAWGABLMC-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazolo[4,5-D]pyridazine
CID 18758265
Thiazolopyridazine
CID 18758278
Pyrazolo-1,3-thiazine
CID 163183768
2-Propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 20602983
2-Methyl-[1,3]thiazolo[4,5-d]pyridazine
CID 21139041
6-Methyl-[1,3]thiazolo[5,4-c]pyridazine
CID 21139044
4-Methyl-[1,3]thiazolo[5,4-c]pyridazine
CID 58957225
6-Tert-butyl-[1,3]thiazolo[5,4-c]pyridazine
CID 90328695
4-Chloro-[1,3]thiazolo[4,5-d]pyridazine
CID 91591722
2-Tert-butyl-[1,3]thiazolo[4,5-d]pyridazine
CID 118552446
6-Propan-2-yl-[1,3]thiazolo[5,4-c]pyridazine
CID 130232739
6-Butylsulfanyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyrazin-7-amine
CID 142485842

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine?
The IUPAC name of 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine (CID 140938231) is 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine.
What is the SMILES notation for 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine?
The canonical SMILES for 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine is c1nc2c(SC3CCCC3)cnnc2s1.
What is the InChIKey of 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine?
The InChIKey is OMJFRLAWGABLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-2-4-7(3-1)15-8-5-12-13-10-9(8)11-6-14-10/h5-7H,1-4H2.
What are the key properties of 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine?
4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine has a molecular weight of 237.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-[1,3]thiazolo[5,4-c]pyridazine is sourced from PubChem (CID 140938231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).