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

C18H22N4O2S — CID 3219192

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C18H22N4O2S/c1-13-7-5-6-10-16(13)22(18(24)15-12-25-21-20-15)11-17(23)19-14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11H2,1H3,(H,19,23)
InChIKeyOVJLUOWMJBWWGK-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3219192) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3219192
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C18H22N4O2S/c1-13-7-5-6-10-16(13)22(18(24)15-12-25-21-20-15)11-17(23)19-14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11H2,1H3,(H,19,23)
InChIKeyOVJLUOWMJBWWGK-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-(2-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (CID 3219192) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is OVJLUOWMJBWWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-7-5-6-10-16(13)22(18(24)15-12-25-21-20-15)11-17(23)19-14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-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-(2-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).