N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H13N3O3S2 — CID 126470220

IUPACN-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)N(C)CCO
InChIInChI=1S/C11H13N3O3S2/c1-13(3-5-15)9(16)7-8(18-2)12-11-14(10(7)17)4-6-19-11/h4,6,15H,3,5H2,1-2H3
InChIKeyKJLUPBFDXNVCPB-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.54
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470220) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470220
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)N(C)CCO
InChIInChI=1S/C11H13N3O3S2/c1-13(3-5-15)9(16)7-8(18-2)12-11-14(10(7)17)4-6-19-11/h4,6,15H,3,5H2,1-2H3
InChIKeyKJLUPBFDXNVCPB-UHFFFAOYSA-N
XLogP0.54
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103857382
N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103915453
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107483041
N-(2-hydroxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248285
N-(2-methoxyethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248286
N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42920026
N-(2-hydroxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418224
N-(1-hydroxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418578
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43500913
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43573360

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470220) is N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KJLUPBFDXNVCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-13(3-5-15)9(16)7-8(18-2)12-11-14(10(7)17)4-6-19-11/h4,6,15H,3,5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).