ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate

C15H18N4O3S2 — CID 2772551

IUPACethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C15H18N4O3S2/c1-4-22-13(21)6-11-7-16-14(24-11)19-12(20)8-23-15-17-9(2)5-10(3)18-15/h5,7H,4,6,8H2,1-3H3,(H,16,19,20)
InChIKeyFPPOUBMITRJLFO-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.39
Rot. Bonds7

About ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate (PubChem CID 2772551) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate
PubChem CID2772551
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Nameethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C15H18N4O3S2/c1-4-22-13(21)6-11-7-16-14(24-11)19-12(20)8-23-15-17-9(2)5-10(3)18-15/h5,7H,4,6,8H2,1-3H3,(H,16,19,20)
InChIKeyFPPOUBMITRJLFO-UHFFFAOYSA-N
XLogP2.39
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 127027826
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3994330
ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
CID 167901227
ethyl 2-[[5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 124537494
ethyl 2-[2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2150757
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3345468
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 30174224
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 933898

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate (CID 2772551) is ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(NC(=O)CSc2nc(C)cc(C)n2)s1.
What is the InChIKey of ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate?
The InChIKey is FPPOUBMITRJLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-4-22-13(21)6-11-7-16-14(24-11)19-12(20)8-23-15-17-9(2)5-10(3)18-15/h5,7H,4,6,8H2,1-3H3,(H,16,19,20).
What are the key properties of ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate has a molecular weight of 366.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 2772551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).