(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

C16H21N7OS — CID 129002337

IUPAC(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
SMILESCc1cn2nc(N[C@@H]3CC(=O)N(C)[C@H]3c3c(C)nn(C)c3C)sc2n1
InChIInChI=1S/C16H21N7OS/c1-8-7-23-16(17-8)25-15(20-23)18-11-6-12(24)21(4)14(11)13-9(2)19-22(5)10(13)3/h7,11,14H,6H2,1-5H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyVZTPSEGILROIFH-BXUZGUMPSA-N
MW359.46 g/mol
LogP1.83
Rot. Bonds3

About (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

(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 (PubChem CID 129002337) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129002337
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC Name(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
SMILESCc1cn2nc(N[C@@H]3CC(=O)N(C)[C@H]3c3c(C)nn(C)c3C)sc2n1
InChIInChI=1S/C16H21N7OS/c1-8-7-23-16(17-8)25-15(20-23)18-11-6-12(24)21(4)14(11)13-9(2)19-22(5)10(13)3/h7,11,14H,6H2,1-5H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyVZTPSEGILROIFH-BXUZGUMPSA-N
XLogP1.83
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cn2nc(N[C@@H]3CC(=O)N(C)[C@H]3c3c(C)nn(C)c3C)sc2n1.
What is the InChIKey of (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?
The InChIKey is VZTPSEGILROIFH-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-8-7-23-16(17-8)25-15(20-23)18-11-6-12(24)21(4)14(11)13-9(2)19-22(5)10(13)3/h7,11,14H,6H2,1-5H3,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129002337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).