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

C11H13N3O3S2 — CID 126471185

IUPACN-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(C)CO
InChIInChI=1S/C11H13N3O3S2/c1-6(5-15)12-8(16)7-9(18-2)13-11-14(10(7)17)3-4-19-11/h3-4,6,15H,5H2,1-2H3,(H,12,16)
InChIKeyLFZGCHZZXJDADE-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.59
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471185) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471185
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC(C)CO
InChIInChI=1S/C11H13N3O3S2/c1-6(5-15)12-8(16)7-9(18-2)13-11-14(10(7)17)3-4-19-11/h3-4,6,15H,5H2,1-2H3,(H,12,16)
InChIKeyLFZGCHZZXJDADE-UHFFFAOYSA-N
XLogP0.59
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471185) is N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LFZGCHZZXJDADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-6(5-15)12-8(16)7-9(18-2)13-11-14(10(7)17)3-4-19-11/h3-4,6,15H,5H2,1-2H3,(H,12,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).