N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide

C19H24N4O2S — CID 24792722

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C19H24N4O2S/c1-13-7-6-8-14(2)18(13)23(19(25)16-12-26-22-21-16)11-17(24)20-15-9-4-3-5-10-15/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,20,24)
InChIKeyKGDGRBULSPGCSR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 24792722) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID24792722
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C19H24N4O2S/c1-13-7-6-8-14(2)18(13)23(19(25)16-12-26-22-21-16)11-17(24)20-15-9-4-3-5-10-15/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,20,24)
InChIKeyKGDGRBULSPGCSR-UHFFFAOYSA-N
XLogP3.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide (CID 24792722) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide is Cc1cccc(C)c1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is KGDGRBULSPGCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-7-6-8-14(2)18(13)23(19(25)16-12-26-22-21-16)11-17(24)20-15-9-4-3-5-10-15/h6-8,12,15H,3-5,9-11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 24792722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).