N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H15N3O3S — CID 23850276

IUPACN-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H15N3O3S/c1-2-7(6-15)13-9(16)8-5-12-11-14(10(8)17)3-4-18-11/h5,7,15H,2-4,6H2,1H3,(H,13,16)
InChIKeyIZMHBJIFYABVOZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.15
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 23850276) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID23850276
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H15N3O3S/c1-2-7(6-15)13-9(16)8-5-12-11-14(10(8)17)3-4-18-11/h5,7,15H,2-4,6H2,1H3,(H,13,16)
InChIKeyIZMHBJIFYABVOZ-UHFFFAOYSA-N
XLogP-0.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 23850276) is N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(CO)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IZMHBJIFYABVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-7(6-15)13-9(16)8-5-12-11-14(10(8)17)3-4-18-11/h5,7,15H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 23850276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).