N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C17H19N7S — CID 133443297

IUPACN-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2ccccn2)s1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19N7S/c1-23(17-22-21-16(25-17)14-7-2-3-9-18-14)13-6-5-11-24(12-13)15-8-4-10-19-20-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeySWVFMRRONXAEKP-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133443297) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133443297
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC NameN-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2ccccn2)s1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19N7S/c1-23(17-22-21-16(25-17)14-7-2-3-9-18-14)13-6-5-11-24(12-13)15-8-4-10-19-20-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeySWVFMRRONXAEKP-UHFFFAOYSA-N
XLogP2.50
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133443297) is N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(c1nnc(-c2ccccn2)s1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SWVFMRRONXAEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S/c1-23(17-22-21-16(25-17)14-7-2-3-9-18-14)13-6-5-11-24(12-13)15-8-4-10-19-20-15/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 353.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133443297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).