N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C12H16N4OS3 — CID 43250262

IUPACN-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CSc2sc(N)nc2C)cs1
InChIInChI=1S/C12H16N4OS3/c1-4-16(8(3)17)12-15-9(6-19-12)5-18-10-7(2)14-11(13)20-10/h6H,4-5H2,1-3H3,(H2,13,14)
InChIKeyZMGKBHDJBFZPEF-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43250262) has the molecular formula C12H16N4OS3 and a molecular weight of 328.49 g/mol. Its IUPAC name is N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43250262
Molecular FormulaC12H16N4OS3
Molecular Weight328.49 g/mol
Exact Mass328.05
IUPAC NameN-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CSc2sc(N)nc2C)cs1
InChIInChI=1S/C12H16N4OS3/c1-4-16(8(3)17)12-15-9(6-19-12)5-18-10-7(2)14-11(13)20-10/h6H,4-5H2,1-3H3,(H2,13,14)
InChIKeyZMGKBHDJBFZPEF-UHFFFAOYSA-N
XLogP3.16
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide with MolForge

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Related Compounds

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-2-aminopropanoic acid
CID 43386119
5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250437
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
5-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]furan-2-carboxylic acid
CID 63942564
N-ethyl-N-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31433500
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
N-ethyl-N-[4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31225109
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
N-[4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31679905
N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 33325060
N-[4-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 42980942
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43250262) is N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CSc2sc(N)nc2C)cs1.
What is the InChIKey of N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is ZMGKBHDJBFZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS3/c1-4-16(8(3)17)12-15-9(6-19-12)5-18-10-7(2)14-11(13)20-10/h6H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 328.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43250262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).