3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine

C11H13ClN4S — CID 71561272

IUPAC3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESClc1cc2sc(NC3CCCCC3)nc2nn1
InChIInChI=1S/C11H13ClN4S/c12-9-6-8-10(16-15-9)14-11(17-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,16)
InChIKeyOVRQYAIYVMWUCA-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.48
Rot. Bonds2

About 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine

3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine (PubChem CID 71561272) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
PubChem CID71561272
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESClc1cc2sc(NC3CCCCC3)nc2nn1
InChIInChI=1S/C11H13ClN4S/c12-9-6-8-10(16-15-9)14-11(17-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,16)
InChIKeyOVRQYAIYVMWUCA-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-chloro-N-cyclohexyl-4-nitro-1,3-benzothiazol-2-amine
CID 96710418
3-[(3-chloro-[1,3]thiazolo[4,5-c]pyridazin-6-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 167449304
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
CID 53273626
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 135156936
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
CID 82548993

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The IUPAC name of 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine (CID 71561272) is 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine.
What is the SMILES notation for 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The canonical SMILES for 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine is Clc1cc2sc(NC3CCCCC3)nc2nn1.
What is the InChIKey of 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The InChIKey is OVRQYAIYVMWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c12-9-6-8-10(16-15-9)14-11(17-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,16).
What are the key properties of 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine has a molecular weight of 268.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine is sourced from PubChem (CID 71561272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).