6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H19N5S — CID 97073350

IUPAC6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@@H]3CCN(C)[C@@H]3c3ccccc3)sc2n1
InChIInChI=1S/C16H19N5S/c1-11-10-21-16(17-11)22-15(19-21)18-13-8-9-20(2)14(13)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyFQMLNVSTJRJGKF-ZIAGYGMSSA-N
MW313.43 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 97073350) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID97073350
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@@H]3CCN(C)[C@@H]3c3ccccc3)sc2n1
InChIInChI=1S/C16H19N5S/c1-11-10-21-16(17-11)22-15(19-21)18-13-8-9-20(2)14(13)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyFQMLNVSTJRJGKF-ZIAGYGMSSA-N
XLogP2.96
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-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

6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine
CID 97073918
2-[[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133407048
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 128972404
N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]pyrazin-2-amine
CID 100692874
6-ethyl-2-methyl-N-(1-methyl-2-phenylpyrrolidin-3-yl)pyrimidin-4-amine
CID 133462105
4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 167862565
N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136545963
(4R,5S)-1-methyl-4-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 129002337
N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94588635
2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 124741038
N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 15357579
1-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)urea
CID 99828968

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 97073350) is 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(N[C@@H]3CCN(C)[C@@H]3c3ccccc3)sc2n1.
What is the InChIKey of 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is FQMLNVSTJRJGKF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N5S/c1-11-10-21-16(17-11)22-15(19-21)18-13-8-9-20(2)14(13)12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 97073350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).