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

C15H26N4OS — CID 91844135

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-5-13-14(21-11(2)17-13)8-16-15(20)10-19-7-6-12(9-19)18(3)4/h12H,5-10H2,1-4H3,(H,16,20)
InChIKeyGOSZXMFBEKXFIY-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.27
Rot. Bonds6

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

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91844135) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID91844135
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-5-13-14(21-11(2)17-13)8-16-15(20)10-19-7-6-12(9-19)18(3)4/h12H,5-10H2,1-4H3,(H,16,20)
InChIKeyGOSZXMFBEKXFIY-UHFFFAOYSA-N
XLogP1.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91844135) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is CCc1nc(C)sc1CNC(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is GOSZXMFBEKXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-13-14(21-11(2)17-13)8-16-15(20)10-19-7-6-12(9-19)18(3)4/h12H,5-10H2,1-4H3,(H,16,20).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 310.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91844135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).