N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H14N4O2S — CID 3587532

IUPACN-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H14N4O2S/c24-17-15(12-21-19-22(17)10-11-26-19)18(25)23(16-8-4-5-9-20-16)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyIWDZMSPGRILLSR-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.00
Rot. Bonds4

About N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3587532) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3587532
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H14N4O2S/c24-17-15(12-21-19-22(17)10-11-26-19)18(25)23(16-8-4-5-9-20-16)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyIWDZMSPGRILLSR-UHFFFAOYSA-N
XLogP3.00
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3587532) is N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IWDZMSPGRILLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-17-15(12-21-19-22(17)10-11-26-19)18(25)23(16-8-4-5-9-20-16)13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3587532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).