6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C14H14N4OS — CID 110850928

IUPAC6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4OS/c1-9-3-5-11(6-4-9)7-15-13(19)12-10(2)17-14-18(12)16-8-20-14/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyBHQDGSJQHUWSHU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.34
Rot. Bonds3

About 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110850928) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110850928
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4OS/c1-9-3-5-11(6-4-9)7-15-13(19)12-10(2)17-14-18(12)16-8-20-14/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyBHQDGSJQHUWSHU-UHFFFAOYSA-N
XLogP2.34
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851656
N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429
N-(4-ethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857845
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331
N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110858809
ethyl 6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
CID 13426068
7-ethyl-2-methyl-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171356527
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657
5,7,8-trideuterio-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157092704
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110850928) is 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is Cc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is BHQDGSJQHUWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-3-5-11(6-4-9)7-15-13(19)12-10(2)17-14-18(12)16-8-20-14/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110850928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).