4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide

C18H17N3O2S2 — CID 19782055

IUPAC4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCSc1ccc(Oc2ccc(CNC(=O)c3snnc3C)cc2)cc1
InChIInChI=1S/C18H17N3O2S2/c1-12-17(25-21-20-12)18(22)19-11-13-3-5-14(6-4-13)23-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyGENBUQUMKHGEBX-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.29
Rot. Bonds6

About 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 19782055) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID19782055
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCSc1ccc(Oc2ccc(CNC(=O)c3snnc3C)cc2)cc1
InChIInChI=1S/C18H17N3O2S2/c1-12-17(25-21-20-12)18(22)19-11-13-3-5-14(6-4-13)23-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyGENBUQUMKHGEBX-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
3-[4-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76905993
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
CID 53080175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide (CID 19782055) is 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide is CSc1ccc(Oc2ccc(CNC(=O)c3snnc3C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is GENBUQUMKHGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-17(25-21-20-12)18(22)19-11-13-3-5-14(6-4-13)23-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 19782055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).