N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

C14H12N4O2S — CID 135439125

IUPACN-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1snc2c(=O)[nH]cnc12
InChIInChI=1S/C14H12N4O2S/c1-2-8-5-3-4-6-9(8)17-14(20)12-10-11(18-21-12)13(19)16-7-15-10/h3-7H,2H2,1H3,(H,17,20)(H,15,16,19)
InChIKeyGRRWEXXNGTZEPC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.19
Rot. Bonds3

About N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 135439125) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
PubChem CID135439125
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1snc2c(=O)[nH]cnc12
InChIInChI=1S/C14H12N4O2S/c1-2-8-5-3-4-6-9(8)17-14(20)12-10-11(18-21-12)13(19)16-7-15-10/h3-7H,2H2,1H3,(H,17,20)(H,15,16,19)
InChIKeyGRRWEXXNGTZEPC-UHFFFAOYSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide (CID 135439125) is N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is CCc1ccccc1NC(=O)c1snc2c(=O)[nH]cnc12.
What is the InChIKey of N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
The InChIKey is GRRWEXXNGTZEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-2-8-5-3-4-6-9(8)17-14(20)12-10-11(18-21-12)13(19)16-7-15-10/h3-7H,2H2,1H3,(H,17,20)(H,15,16,19).
What are the key properties of N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide?
N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 135439125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).