N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C14H25N3OS — CID 64569654

IUPACN-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC(C)C(C)C)cs1
InChIInChI=1S/C14H25N3OS/c1-6-17(12(5)18)14-16-13(9-19-14)8-15-7-11(4)10(2)3/h9-11,15H,6-8H2,1-5H3
InChIKeyVKKZAVOWYNHJND-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.90
Rot. Bonds7

About N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 64569654) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID64569654
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC(C)C(C)C)cs1
InChIInChI=1S/C14H25N3OS/c1-6-17(12(5)18)14-16-13(9-19-14)8-15-7-11(4)10(2)3/h9-11,15H,6-8H2,1-5H3
InChIKeyVKKZAVOWYNHJND-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088
N-ethyl-N-[4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 106393105
N-ethyl-N-[4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115699387
N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115358791
N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 64928081
N-ethyl-N-[4-[[1-(furan-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 43226378
N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 103275565

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 64569654) is N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNCC(C)C(C)C)cs1.
What is the InChIKey of N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is VKKZAVOWYNHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-17(12(5)18)14-16-13(9-19-14)8-15-7-11(4)10(2)3/h9-11,15H,6-8H2,1-5H3.
What are the key properties of N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 283.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 64569654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).