7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C19H17N5OS2 — CID 28538471

IUPAC7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(CSc2nnc(NC(=O)c3cn4ccc(C)cc4n3)s2)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-3-5-14(6-4-12)11-26-19-23-22-18(27-19)21-17(25)15-10-24-8-7-13(2)9-16(24)20-15/h3-10H,11H2,1-2H3,(H,21,22,25)
InChIKeyCZXYGOFMYXSGOI-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.35
Rot. Bonds5

About 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 28538471) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID28538471
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc(CSc2nnc(NC(=O)c3cn4ccc(C)cc4n3)s2)cc1
InChIInChI=1S/C19H17N5OS2/c1-12-3-5-14(6-4-12)11-26-19-23-22-18(27-19)21-17(25)15-10-24-8-7-13(2)9-16(24)20-15/h3-10H,11H2,1-2H3,(H,21,22,25)
InChIKeyCZXYGOFMYXSGOI-UHFFFAOYSA-N
XLogP4.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 4812449
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,5-dimethylbenzamide
CID 8800529
2,3-dimethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 8838612
2-bromo-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3457858
3,5-dichloro-4-ethoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3301002
N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 17401021
3,4,6-trimethyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 18864775
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17421080
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 3319397
2,4-dimethoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 42448319
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 44957849
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 28538471) is 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc(CSc2nnc(NC(=O)c3cn4ccc(C)cc4n3)s2)cc1.
What is the InChIKey of 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CZXYGOFMYXSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-3-5-14(6-4-12)11-26-19-23-22-18(27-19)21-17(25)15-10-24-8-7-13(2)9-16(24)20-15/h3-10H,11H2,1-2H3,(H,21,22,25).
What are the key properties of 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 28538471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).