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

C15H16N6O2S — CID 118783442

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1cc(=O)nc2sccn12)C1CC1
InChIInChI=1S/C15H16N6O2S/c1-2-21-13(16-8-17-21)12(9-3-4-9)19-14(23)10-7-11(22)18-15-20(10)5-6-24-15/h5-9,12H,2-4H2,1H3,(H,19,23)
InChIKeyPRGFRTBKHOSQAE-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.25
Rot. Bonds5

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

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 118783442) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID118783442
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1cc(=O)nc2sccn12)C1CC1
InChIInChI=1S/C15H16N6O2S/c1-2-21-13(16-8-17-21)12(9-3-4-9)19-14(23)10-7-11(22)18-15-20(10)5-6-24-15/h5-9,12H,2-4H2,1H3,(H,19,23)
InChIKeyPRGFRTBKHOSQAE-UHFFFAOYSA-N
XLogP1.25
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-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-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 118783442) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CCn1ncnc1C(NC(=O)c1cc(=O)nc2sccn12)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is PRGFRTBKHOSQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-21-13(16-8-17-21)12(9-3-4-9)19-14(23)10-7-11(22)18-15-20(10)5-6-24-15/h5-9,12H,2-4H2,1H3,(H,19,23).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 118783442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).