N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C13H18N4O2S — CID 103275565

IUPACN-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCc2ncc(C)o2)cs1
InChIInChI=1S/C13H18N4O2S/c1-4-17(10(3)18)13-16-11(8-20-13)6-14-7-12-15-5-9(2)19-12/h5,8,14H,4,6-7H2,1-3H3
InChIKeyBFYVLAYCRPMAPI-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.10
Rot. Bonds6

About N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 103275565) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID103275565
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNCc2ncc(C)o2)cs1
InChIInChI=1S/C13H18N4O2S/c1-4-17(10(3)18)13-16-11(8-20-13)6-14-7-12-15-5-9(2)19-12/h5,8,14H,4,6-7H2,1-3H3
InChIKeyBFYVLAYCRPMAPI-UHFFFAOYSA-N
XLogP2.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
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N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
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N-ethyl-N-[4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
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N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 79046167
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
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N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 103275565) is N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNCc2ncc(C)o2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BFYVLAYCRPMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-17(10(3)18)13-16-11(8-20-13)6-14-7-12-15-5-9(2)19-12/h5,8,14H,4,6-7H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 103275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).