N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H21N7S — CID 95599811

IUPACN,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccc(N2CCC[C@H](N(C)c3nn4cc(C)nc4s3)C2)nn1
InChIInChI=1S/C16H21N7S/c1-11-6-7-14(19-18-11)22-8-4-5-13(10-22)21(3)16-20-23-9-12(2)17-15(23)24-16/h6-7,9,13H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyPUEMJDNCSGWXLO-ZDUSSCGKSA-N
MW343.46 g/mol
LogP2.30
Rot. Bonds3

About N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 95599811) has the molecular formula C16H21N7S and a molecular weight of 343.46 g/mol. Its IUPAC name is N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID95599811
Molecular FormulaC16H21N7S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC NameN,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccc(N2CCC[C@H](N(C)c3nn4cc(C)nc4s3)C2)nn1
InChIInChI=1S/C16H21N7S/c1-11-6-7-14(19-18-11)22-8-4-5-13(10-22)21(3)16-20-23-9-12(2)17-15(23)24-16/h6-7,9,13H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyPUEMJDNCSGWXLO-ZDUSSCGKSA-N
XLogP2.30
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 56778163
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95338210
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56777998
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 95599811) is N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1ccc(N2CCC[C@H](N(C)c3nn4cc(C)nc4s3)C2)nn1.
What is the InChIKey of N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PUEMJDNCSGWXLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N7S/c1-11-6-7-14(19-18-11)22-8-4-5-13(10-22)21(3)16-20-23-9-12(2)17-15(23)24-16/h6-7,9,13H,4-5,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 95599811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).