7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C12H9Cl2N5O2S — CID 118017889

IUPAC7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(Cl)cc3Cl)cc(=O)n2c1C(N)=O
InChIInChI=1S/C12H9Cl2N5O2S/c1-5-10(11(15)21)19-9(20)2-6(16-12(19)22-5)4-18-8(14)3-7(13)17-18/h2-3H,4H2,1H3,(H2,15,21)
InChIKeySJKJIBUGOBZDSU-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.71
Rot. Bonds3

About 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017889) has the molecular formula C12H9Cl2N5O2S and a molecular weight of 358.21 g/mol. Its IUPAC name is 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017889
Molecular FormulaC12H9Cl2N5O2S
Molecular Weight358.21 g/mol
Exact Mass356.99
IUPAC Name7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCc1sc2nc(Cn3nc(Cl)cc3Cl)cc(=O)n2c1C(N)=O
InChIInChI=1S/C12H9Cl2N5O2S/c1-5-10(11(15)21)19-9(20)2-6(16-12(19)22-5)4-18-8(14)3-7(13)17-18/h2-3H,4H2,1H3,(H2,15,21)
InChIKeySJKJIBUGOBZDSU-UHFFFAOYSA-N
XLogP1.71
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017889) is 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is Cc1sc2nc(Cn3nc(Cl)cc3Cl)cc(=O)n2c1C(N)=O.
What is the InChIKey of 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is SJKJIBUGOBZDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5O2S/c1-5-10(11(15)21)19-9(20)2-6(16-12(19)22-5)4-18-8(14)3-7(13)17-18/h2-3H,4H2,1H3,(H2,15,21).
What are the key properties of 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 358.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dichloropyrazol-1-yl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).