2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H21N5O2S — CID 75393452

IUPAC2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H21N5O2S/c1-10-14(15(17-2)24-19-10)16(23)21-6-4-5-12(21)7-13(22)11-8-18-20(3)9-11/h8-9,12,17H,4-7H2,1-3H3
InChIKeyWWUPDJXVNARRQN-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.10
Rot. Bonds5

About 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75393452) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75393452
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C16H21N5O2S/c1-10-14(15(17-2)24-19-10)16(23)21-6-4-5-12(21)7-13(22)11-8-18-20(3)9-11/h8-9,12,17H,4-7H2,1-3H3
InChIKeyWWUPDJXVNARRQN-UHFFFAOYSA-N
XLogP2.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75393452) is 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is CNc1snc(C)c1C(=O)N1CCCC1CC(=O)c1cnn(C)c1.
What is the InChIKey of 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is WWUPDJXVNARRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-14(15(17-2)24-19-10)16(23)21-6-4-5-12(21)7-13(22)11-8-18-20(3)9-11/h8-9,12,17H,4-7H2,1-3H3.
What are the key properties of 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 347.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75393452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).