7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O3S2 — CID 126469320

IUPAC7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NC(C)COC
InChIInChI=1S/C13H17N3O3S2/c1-4-20-11-9(10(17)14-8(2)7-19-3)12(18)16-5-6-21-13(16)15-11/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyYPDITFKECIFXJD-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.63
Rot. Bonds6

About 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469320) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469320
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2sccn2c(=O)c1C(=O)NC(C)COC
InChIInChI=1S/C13H17N3O3S2/c1-4-20-11-9(10(17)14-8(2)7-19-3)12(18)16-5-6-21-13(16)15-11/h5-6,8H,4,7H2,1-3H3,(H,14,17)
InChIKeyYPDITFKECIFXJD-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469320) is 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCSc1nc2sccn2c(=O)c1C(=O)NC(C)COC.
What is the InChIKey of 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YPDITFKECIFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-4-20-11-9(10(17)14-8(2)7-19-3)12(18)16-5-6-21-13(16)15-11/h5-6,8H,4,7H2,1-3H3,(H,14,17).
What are the key properties of 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).