[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate

C16H20N2O4S2 — CID 56850318

IUPAC[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate
SMILESCCC(=O)OCc1sc(-c2nc(C)c(COC(=O)CC)s2)nc1C
InChIInChI=1S/C16H20N2O4S2/c1-5-13(19)21-7-11-9(3)17-15(23-11)16-18-10(4)12(24-16)8-22-14(20)6-2/h5-8H2,1-4H3
InChIKeyLQSGCIYCRLRNLC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.79
Rot. Bonds7

About [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate

[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate (PubChem CID 56850318) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate.

Molecular Properties

Compound Name[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate
PubChem CID56850318
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate
SMILESCCC(=O)OCc1sc(-c2nc(C)c(COC(=O)CC)s2)nc1C
InChIInChI=1S/C16H20N2O4S2/c1-5-13(19)21-7-11-9(3)17-15(23-11)16-18-10(4)12(24-16)8-22-14(20)6-2/h5-8H2,1-4H3
InChIKeyLQSGCIYCRLRNLC-UHFFFAOYSA-N
XLogP3.79
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5,6-trimethylpyrazin-2-yl)methyl propanoate;hydrochloride
CID 174591443
ethyl propanoate;tin(2+);dichloride
CID 171374953
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl pyrimidine-4-carboxylate
CID 146090655
(2,4-dimethyl-1,3-thiazol-5-yl) propanoate
CID 42552778
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
2,2,2-triaminoethyl propanoate
CID 163440168
[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate;bis([4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl propanoate);[4-methyl-2-(4-nitrophenyl)-1,3-thiazol-5-yl]methyl propanoate;[4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl propanoate
CID 167626383
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
CID 90369311
ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
CID 145363237
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate?
The IUPAC name of [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate (CID 56850318) is [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate.
What is the SMILES notation for [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate?
The canonical SMILES for [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate is CCC(=O)OCc1sc(-c2nc(C)c(COC(=O)CC)s2)nc1C.
What is the InChIKey of [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate?
The InChIKey is LQSGCIYCRLRNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-5-13(19)21-7-11-9(3)17-15(23-11)16-18-10(4)12(24-16)8-22-14(20)6-2/h5-8H2,1-4H3.
What are the key properties of [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate?
[4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate has a molecular weight of 368.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[4-methyl-5-(propanoyloxymethyl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]methyl propanoate is sourced from PubChem (CID 56850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).