N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

C15H14N8O2S — CID 70780210

IUPACN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1cn2ccsc2n1
InChIInChI=1S/C15H14N8O2S/c1-9(11-5-22-2-3-26-15(22)20-11)19-13(24)10-4-17-12(21-14(10)25)6-23-8-16-7-18-23/h2-5,7-9H,6H2,1H3,(H,19,24)(H,17,21,25)
InChIKeyVANIBDHQGLBBBJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP0.61
Rot. Bonds5

About N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70780210) has the molecular formula C15H14N8O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70780210
Molecular FormulaC15H14N8O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1cn2ccsc2n1
InChIInChI=1S/C15H14N8O2S/c1-9(11-5-22-2-3-26-15(22)20-11)19-13(24)10-4-17-12(21-14(10)25)6-23-8-16-7-18-23/h2-5,7-9H,6H2,1H3,(H,19,24)(H,17,21,25)
InChIKeyVANIBDHQGLBBBJ-UHFFFAOYSA-N
XLogP0.61
TPSA122.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-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

Related Compounds

N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97115290
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97121154
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70738724
5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
CID 97114717
3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91764898
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 95558715
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70751645
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-morpholin-4-ylacetamide
CID 118773641
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
(2R)-2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid
CID 51674828
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 70780210) is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(Cn2cncn2)[nH]c1=O)c1cn2ccsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is VANIBDHQGLBBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2S/c1-9(11-5-22-2-3-26-15(22)20-11)19-13(24)10-4-17-12(21-14(10)25)6-23-8-16-7-18-23/h2-5,7-9H,6H2,1H3,(H,19,24)(H,17,21,25).
What are the key properties of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70780210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).