N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide

C19H24N4O2S — CID 3219279

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-8-14(2)10-16(9-13)23(19(25)17-12-26-22-21-17)11-18(24)20-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,20,24)
InChIKeyYADALKJQHBSPCD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219279) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID3219279
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-8-14(2)10-16(9-13)23(19(25)17-12-26-22-21-17)11-18(24)20-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,20,24)
InChIKeyYADALKJQHBSPCD-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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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 24761911
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221927
N-[(4-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467680
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 3222275
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 1467660
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3221805

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide (CID 3219279) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide is Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is YADALKJQHBSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-8-14(2)10-16(9-13)23(19(25)17-12-26-22-21-17)11-18(24)20-15-6-4-3-5-7-15/h8-10,12,15H,3-7,11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-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-(3,5-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).