2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide

C16H28N4OS — CID 56703917

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1nc(N)sc1CC(=O)NCC1CCN(CC(C)(C)C)C1
InChIInChI=1S/C16H28N4OS/c1-11-13(22-15(17)19-11)7-14(21)18-8-12-5-6-20(9-12)10-16(2,3)4/h12H,5-10H2,1-4H3,(H2,17,19)(H,18,21)
InChIKeyXYVDXEHJXWCUFV-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 56703917) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID56703917
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1nc(N)sc1CC(=O)NCC1CCN(CC(C)(C)C)C1
InChIInChI=1S/C16H28N4OS/c1-11-13(22-15(17)19-11)7-14(21)18-8-12-5-6-20(9-12)10-16(2,3)4/h12H,5-10H2,1-4H3,(H2,17,19)(H,18,21)
InChIKeyXYVDXEHJXWCUFV-UHFFFAOYSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide (CID 56703917) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide is Cc1nc(N)sc1CC(=O)NCC1CCN(CC(C)(C)C)C1.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is XYVDXEHJXWCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-11-13(22-15(17)19-11)7-14(21)18-8-12-5-6-20(9-12)10-16(2,3)4/h12H,5-10H2,1-4H3,(H2,17,19)(H,18,21).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 324.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56703917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).