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

C14H24N4OS — CID 63299224

IUPACN-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(CC)C2CCNC2)cs1
InChIInChI=1S/C14H24N4OS/c1-4-17(13-6-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3
InChIKeyITPHLYDTQHDWDV-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.70
Rot. Bonds6

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

N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 63299224) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID63299224
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(CC)C2CCNC2)cs1
InChIInChI=1S/C14H24N4OS/c1-4-17(13-6-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3
InChIKeyITPHLYDTQHDWDV-UHFFFAOYSA-N
XLogP1.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 63299224) is N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN(CC)C2CCNC2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ITPHLYDTQHDWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-17(13-6-7-15-8-13)9-12-10-20-14(16-12)18(5-2)11(3)19/h10,13,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 63299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).