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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Related Compounds

N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62333948
4-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484

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).