N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C20H28N4O2S — CID 55908575

IUPACN-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C20H28N4O2S/c1-12(2)11-15(21-16(25)14-10-8-7-9-13(14)3)17(26)22-19-24-23-18(27-19)20(4,5)6/h7-10,12,15H,11H2,1-6H3,(H,21,25)(H,22,24,26)
InChIKeyGCNDPYDJQOBSLX-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.93
Rot. Bonds6

About N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 55908575) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID55908575
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C20H28N4O2S/c1-12(2)11-15(21-16(25)14-10-8-7-9-13(14)3)17(26)22-19-24-23-18(27-19)20(4,5)6/h7-10,12,15H,11H2,1-6H3,(H,21,25)(H,22,24,26)
InChIKeyGCNDPYDJQOBSLX-UHFFFAOYSA-N
XLogP3.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
CID 2553970
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42663211
N-[(2R)-1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 93101440
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 55908575) is N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is GCNDPYDJQOBSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-12(2)11-15(21-16(25)14-10-8-7-9-13(14)3)17(26)22-19-24-23-18(27-19)20(4,5)6/h7-10,12,15H,11H2,1-6H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 388.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55908575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).