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

C17H22N4O2S — CID 3221805

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O2S/c1-5-17(3,4)18-15(22)10-21(13-8-6-7-12(2)9-13)16(23)14-11-24-20-19-14/h6-9,11H,5,10H2,1-4H3,(H,18,22)
InChIKeyZCBAYHXQLSCLSW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 3221805) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
PubChem CID3221805
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O2S/c1-5-17(3,4)18-15(22)10-21(13-8-6-7-12(2)9-13)16(23)14-11-24-20-19-14/h6-9,11H,5,10H2,1-4H3,(H,18,22)
InChIKeyZCBAYHXQLSCLSW-UHFFFAOYSA-N
XLogP2.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222309
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
N-[(1S)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7434843
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 43814259
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
CID 3222156
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
CID 3222025
N-(3,5-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3221934
N-[(1R)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7404366
N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205560
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 1467648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide (CID 3221805) is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)CN(C(=O)c1csnn1)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is ZCBAYHXQLSCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-17(3,4)18-15(22)10-21(13-8-6-7-12(2)9-13)16(23)14-11-24-20-19-14/h6-9,11H,5,10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3221805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).