N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C15H17N7O2S — CID 86902705

IUPACN-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCCN1c1cccnn1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H17N7O2S/c1-19(13-14(22(23)24)21-8-9-25-15(21)17-13)10-11-4-3-7-20(11)12-5-2-6-16-18-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3
InChIKeyXJXGXHJJWPXLDB-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 86902705) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID86902705
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCCN1c1cccnn1)c1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H17N7O2S/c1-19(13-14(22(23)24)21-8-9-25-15(21)17-13)10-11-4-3-7-20(11)12-5-2-6-16-18-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3
InChIKeyXJXGXHJJWPXLDB-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N,N'-dimethyl-N'-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)ethane-1,2-diamine
CID 133274109
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95338210
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86902703
N-[4-[[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95600224
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
2-[cyclopentyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetic acid
CID 60838498
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 18095773
6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
CID 133464605
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95600282

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 86902705) is N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is CN(CC1CCCN1c1cccnn1)c1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is XJXGXHJJWPXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-19(13-14(22(23)24)21-8-9-25-15(21)17-13)10-11-4-3-7-20(11)12-5-2-6-16-18-12/h2,5-6,8-9,11H,3-4,7,10H2,1H3.
What are the key properties of N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 359.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 86902705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).