N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide

C15H16N4OS — CID 72548750

IUPACN-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn2c(C)ncc2s1
InChIInChI=1S/C15H16N4OS/c1-3-18(10-12-7-5-4-6-8-12)15(20)14-17-19-11(2)16-9-13(19)21-14/h4-9H,3,10H2,1-2H3
InChIKeyMFZZACJNRRLMPC-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.76
Rot. Bonds4

About N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide

N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide (PubChem CID 72548750) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
PubChem CID72548750
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nn2c(C)ncc2s1
InChIInChI=1S/C15H16N4OS/c1-3-18(10-12-7-5-4-6-8-12)15(20)14-17-19-11(2)16-9-13(19)21-14/h4-9H,3,10H2,1-2H3
InChIKeyMFZZACJNRRLMPC-UHFFFAOYSA-N
XLogP2.76
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110851864
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide (CID 72548750) is N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1nn2c(C)ncc2s1.
What is the InChIKey of N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide?
The InChIKey is MFZZACJNRRLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-18(10-12-7-5-4-6-8-12)15(20)14-17-19-11(2)16-9-13(19)21-14/h4-9H,3,10H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide?
N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide is sourced from PubChem (CID 72548750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).