N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide

C13H23N3OS — CID 113387190

IUPACN,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
SMILESCCc1cnc(C(C)NCC(=O)N(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-11-8-15-13(18-11)10(4)14-9-12(17)16(6-2)7-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyDIRCMGCQWKMSES-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.22
Rot. Bonds7

About N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide

N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide (PubChem CID 113387190) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
PubChem CID113387190
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
SMILESCCc1cnc(C(C)NCC(=O)N(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-11-8-15-13(18-11)10(4)14-9-12(17)16(6-2)7-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyDIRCMGCQWKMSES-UHFFFAOYSA-N
XLogP2.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 113364271
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
ethyl 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propanoate
CID 115679802
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide (CID 113387190) is N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide is CCc1cnc(C(C)NCC(=O)N(CC)CC)s1.
What is the InChIKey of N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide?
The InChIKey is DIRCMGCQWKMSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11-8-15-13(18-11)10(4)14-9-12(17)16(6-2)7-3/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide?
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide has a molecular weight of 269.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide is sourced from PubChem (CID 113387190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).