N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide

C18H22N4O2S — CID 3219215

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C18H22N4O2S/c1-13-6-5-9-15(10-13)22(18(24)16-12-25-21-20-16)11-17(23)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,23)
InChIKeyVGJGAMIUGMGENA-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219215) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219215
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1
InChIInChI=1S/C18H22N4O2S/c1-13-6-5-9-15(10-13)22(18(24)16-12-25-21-20-16)11-17(23)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,23)
InChIKeyVGJGAMIUGMGENA-UHFFFAOYSA-N
XLogP2.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.94
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-(3-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (CID 3219215) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide is Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is VGJGAMIUGMGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-6-5-9-15(10-13)22(18(24)16-12-25-21-20-16)11-17(23)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,23).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.94, 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-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).