ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate

C14H18N4O5S2 — CID 23004552

IUPACethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3sccn3c2=O)CC1
InChIInChI=1S/C14H18N4O5S2/c1-3-23-14(20)16-4-6-17(7-5-16)25(21,22)11-10(2)15-13-18(12(11)19)8-9-24-13/h8-9H,3-7H2,1-2H3
InChIKeyIDQDCVCRKAUYOV-UHFFFAOYSA-N
MW386.46 g/mol
LogP0.53
Rot. Bonds3

About ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate

ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate (PubChem CID 23004552) has the molecular formula C14H18N4O5S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
PubChem CID23004552
Molecular FormulaC14H18N4O5S2
Molecular Weight386.46 g/mol
Exact Mass386.07
IUPAC Nameethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3sccn3c2=O)CC1
InChIInChI=1S/C14H18N4O5S2/c1-3-23-14(20)16-4-6-17(7-5-16)25(21,22)11-10(2)15-13-18(12(11)19)8-9-24-13/h8-9H,3-7H2,1-2H3
InChIKeyIDQDCVCRKAUYOV-UHFFFAOYSA-N
XLogP0.53
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

7-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17376148
ethyl 4-[(3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
CID 24789790
7-Methyl-6-(morpholine-4-sulfonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 23004545
7-Methyl-6-{[(2-morpholin-4-ylethyl)amino]sulfonyl}-4-hydro-1,3-thiazolino[3,2-a]pyrimidin-5-one
CID 23004558
Ethyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
CID 2654299
3,7-Dimethyl-6-(4-methylpiperazin-1-yl)sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22432742
N,N-dimethyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-oxopyridine-3-sulfonamide
CID 42928868
7-[[2-(4-Ethylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49599542
Ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
CID 51167959
2-Methylpropyl 4-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]piperazine-1-carboxylate
CID 56291491

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate (CID 23004552) is ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3sccn3c2=O)CC1.
What is the InChIKey of ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is IDQDCVCRKAUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S2/c1-3-23-14(20)16-4-6-17(7-5-16)25(21,22)11-10(2)15-13-18(12(11)19)8-9-24-13/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 386.46 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 23004552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).