2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine

C14H16N6S — CID 164633260

IUPAC2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cn2nc(N[C@H]3CCN(c4nccs4)C3)ccc2n1
InChIInChI=1S/C14H16N6S/c1-10-8-20-13(16-10)3-2-12(18-20)17-11-4-6-19(9-11)14-15-5-7-21-14/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyDKCYYRPUKRYPHX-NSHDSACASA-N
MW300.39 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine

2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 164633260) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID164633260
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cn2nc(N[C@H]3CCN(c4nccs4)C3)ccc2n1
InChIInChI=1S/C14H16N6S/c1-10-8-20-13(16-10)3-2-12(18-20)17-11-4-6-19(9-11)14-15-5-7-21-14/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyDKCYYRPUKRYPHX-NSHDSACASA-N
XLogP2.19
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 118525795
3-(1-Methyl-1H-pyrazol-4-yl)-N-(4-methyl-2-thienyl)imidazo[1,2-a]pyrazin-8-amine
CID 11558640
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250655
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257519
2-Methyl-5-[[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53568125
3-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164638440
(3S)-3-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 171357958
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-N-methyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 176118333
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-N-methyl-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 176118340
N-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 176118342
N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 176118361
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-(2-methylpyrazol-3-yl)-9-thiophen-3-ylpurine-2,6-diamine
CID 117091451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine (CID 164633260) is 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine is Cc1cn2nc(N[C@H]3CCN(c4nccs4)C3)ccc2n1.
What is the InChIKey of 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DKCYYRPUKRYPHX-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N6S/c1-10-8-20-13(16-10)3-2-12(18-20)17-11-4-6-19(9-11)14-15-5-7-21-14/h2-3,5,7-8,11H,4,6,9H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine?
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 300.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 164633260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).