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

C11H14N4OS2 — CID 79046167

IUPACN-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2nccs2)cs1
InChIInChI=1S/C11H14N4OS2/c1-3-15(8(2)16)11-14-9(7-18-11)6-13-10-12-4-5-17-10/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyIRAZGKYFVNUYBB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds5

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

N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 79046167) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID79046167
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2nccs2)cs1
InChIInChI=1S/C11H14N4OS2/c1-3-15(8(2)16)11-14-9(7-18-11)6-13-10-12-4-5-17-10/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyIRAZGKYFVNUYBB-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43742880
N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226209
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-ethyl-N-[4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 106393105
N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
N-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 115909486
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43226278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 79046167) is N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNc2nccs2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IRAZGKYFVNUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-3-15(8(2)16)11-14-9(7-18-11)6-13-10-12-4-5-17-10/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 79046167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).