N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

C17H16N6S2 — CID 56758566

IUPACN-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESCN(Cc1csc(-c2cccs2)n1)c1ccc(-c2nccn2C)nn1
InChIInChI=1S/C17H16N6S2/c1-22-8-7-18-16(22)13-5-6-15(21-20-13)23(2)10-12-11-25-17(19-12)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3
InChIKeyDJVXUBIYCRCKGQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.70
Rot. Bonds5

About N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (PubChem CID 56758566) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
PubChem CID56758566
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC NameN-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESCN(Cc1csc(-c2cccs2)n1)c1ccc(-c2nccn2C)nn1
InChIInChI=1S/C17H16N6S2/c1-22-8-7-18-16(22)13-5-6-15(21-20-13)23(2)10-12-11-25-17(19-12)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3
InChIKeyDJVXUBIYCRCKGQ-UHFFFAOYSA-N
XLogP3.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
2-N,2-N-dimethyl-5-N-[4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 76318001
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059830

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (CID 56758566) is N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is CN(Cc1csc(-c2cccs2)n1)c1ccc(-c2nccn2C)nn1.
What is the InChIKey of N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The InChIKey is DJVXUBIYCRCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1-22-8-7-18-16(22)13-5-6-15(21-20-13)23(2)10-12-11-25-17(19-12)14-4-3-9-24-14/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine has a molecular weight of 368.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 56758566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).