N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H16N6O2S — CID 70732121

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cn2ccsc2n1
InChIInChI=1S/C13H16N6O2S/c1-21-6-4-19-9-15-17-11(19)2-3-14-12(20)10-8-18-5-7-22-13(18)16-10/h5,7-9H,2-4,6H2,1H3,(H,14,20)
InChIKeyZPMAFZVNZNMBPG-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.61
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70732121) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70732121
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)c1cn2ccsc2n1
InChIInChI=1S/C13H16N6O2S/c1-21-6-4-19-9-15-17-11(19)2-3-14-12(20)10-8-18-5-7-22-13(18)16-10/h5,7-9H,2-4,6H2,1H3,(H,14,20)
InChIKeyZPMAFZVNZNMBPG-UHFFFAOYSA-N
XLogP0.61
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70732121) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCCn1cnnc1CCNC(=O)c1cn2ccsc2n1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is ZPMAFZVNZNMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-21-6-4-19-9-15-17-11(19)2-3-14-12(20)10-8-18-5-7-22-13(18)16-10/h5,7-9H,2-4,6H2,1H3,(H,14,20).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70732121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).