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

C17H17N3O3S — CID 126470131

IUPACN-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C17H17N3O3S/c1-2-12(9-21)19-15(22)13-8-18-17-20(16(13)23)14(10-24-17)11-6-4-3-5-7-11/h3-8,10,12,21H,2,9H2,1H3,(H,19,22)
InChIKeyVDFRMEOYGVGYGT-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.92
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470131) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470131
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C17H17N3O3S/c1-2-12(9-21)19-15(22)13-8-18-17-20(16(13)23)14(10-24-17)11-6-4-3-5-7-11/h3-8,10,12,21H,2,9H2,1H3,(H,19,22)
InChIKeyVDFRMEOYGVGYGT-UHFFFAOYSA-N
XLogP1.92
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.92
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-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470131) is N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(CO)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VDFRMEOYGVGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-12(9-21)19-15(22)13-8-18-17-20(16(13)23)14(10-24-17)11-6-4-3-5-7-11/h3-8,10,12,21H,2,9H2,1H3,(H,19,22).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.92, 5 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-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).