N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H27N3OS — CID 9463828

IUPACN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C17H27N3OS/c1-5-17(3,4)13-6-8-14(9-7-13)19-20-16(21)10-15-11-22-12(2)18-15/h11,13H,5-10H2,1-4H3,(H,20,21)/b19-14-
InChIKeyGKQHJAWJNQEKAV-RGEXLXHISA-N
MW321.49 g/mol
LogP4.09
Rot. Bonds5

About N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463828) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463828
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C17H27N3OS/c1-5-17(3,4)13-6-8-14(9-7-13)19-20-16(21)10-15-11-22-12(2)18-15/h11,13H,5-10H2,1-4H3,(H,20,21)/b19-14-
InChIKeyGKQHJAWJNQEKAV-RGEXLXHISA-N
XLogP4.09
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463762
2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9463824
N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463859
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463997
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563691

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463828) is N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCC(C)(C)C1CCC(=NNC(=O)Cc2csc(C)n2)CC1.
What is the InChIKey of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GKQHJAWJNQEKAV-RGEXLXHISA-N. The full InChI is InChI=1S/C17H27N3OS/c1-5-17(3,4)13-6-8-14(9-7-13)19-20-16(21)10-15-11-22-12(2)18-15/h11,13H,5-10H2,1-4H3,(H,20,21)/b19-14-.
What are the key properties of N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 321.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).