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

C12H21N3O2S — CID 62333948

IUPACN-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(C)CC(C)O)cs1
InChIInChI=1S/C12H21N3O2S/c1-5-15(10(3)17)12-13-11(8-18-12)7-14(4)6-9(2)16/h8-9,16H,5-7H2,1-4H3
InChIKeyCUVFNLXSGPVWQE-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.33
Rot. Bonds6

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

N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62333948) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62333948
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN(C)CC(C)O)cs1
InChIInChI=1S/C12H21N3O2S/c1-5-15(10(3)17)12-13-11(8-18-12)7-14(4)6-9(2)16/h8-9,16H,5-7H2,1-4H3
InChIKeyCUVFNLXSGPVWQE-UHFFFAOYSA-N
XLogP1.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-ethylamino]-2-methylpropanoic acid
CID 62853684
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833300
N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62015492
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 102636268
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
N-[4-[[azetidin-3-yl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66214288
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-2-aminopropanoic acid
CID 43386119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 62333948) is N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN(C)CC(C)O)cs1.
What is the InChIKey of N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CUVFNLXSGPVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(10(3)17)12-13-11(8-18-12)7-14(4)6-9(2)16/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 271.39 g/mol, XLogP of 1.33, 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-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62333948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).