N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C16H19N5O2S — CID 118765307

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(=O)nc3sccn23)c1C
InChIInChI=1S/C16H19N5O2S/c1-4-12-10(2)19-21(11(12)3)6-5-17-15(23)13-9-14(22)18-16-20(13)7-8-24-16/h7-9H,4-6H2,1-3H3,(H,17,23)
InChIKeyXAVRSWDBHMIUOD-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 118765307) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID118765307
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(=O)nc3sccn23)c1C
InChIInChI=1S/C16H19N5O2S/c1-4-12-10(2)19-21(11(12)3)6-5-17-15(23)13-9-14(22)18-16-20(13)7-8-24-16/h7-9H,4-6H2,1-3H3,(H,17,23)
InChIKeyXAVRSWDBHMIUOD-UHFFFAOYSA-N
XLogP1.56
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 118765307) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CCc1c(C)nn(CCNC(=O)c2cc(=O)nc3sccn23)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is XAVRSWDBHMIUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-4-12-10(2)19-21(11(12)3)6-5-17-15(23)13-9-14(22)18-16-20(13)7-8-24-16/h7-9H,4-6H2,1-3H3,(H,17,23).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118765307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).