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

C17H22N4O2S — CID 3222156

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C17H22N4O2S/c1-11-7-6-8-12(2)15(11)21(9-14(22)18-17(3,4)5)16(23)13-10-24-20-19-13/h6-8,10H,9H2,1-5H3,(H,18,22)
InChIKeyAOOQMGIWPQSJQQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.72
Rot. Bonds4

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

N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide (PubChem CID 3222156) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
PubChem CID3222156
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
SMILESCc1cccc(C)c1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C17H22N4O2S/c1-11-7-6-8-12(2)15(11)21(9-14(22)18-17(3,4)5)16(23)13-10-24-20-19-13/h6-8,10H,9H2,1-5H3,(H,18,22)
InChIKeyAOOQMGIWPQSJQQ-UHFFFAOYSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
CID 3222025
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3221805
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222309
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 43815572
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219269
N-[(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410118
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide (CID 3222156) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide is Cc1cccc(C)c1N(CC(=O)NC(C)(C)C)C(=O)c1csnn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
The InChIKey is AOOQMGIWPQSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-7-6-8-12(2)15(11)21(9-14(22)18-17(3,4)5)16(23)13-10-24-20-19-13/h6-8,10H,9H2,1-5H3,(H,18,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).