N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H23N3OS — CID 9029908

IUPACN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)n1
InChIInChI=1S/C16H23N3OS/c1-11-10-21-16(17-11)9-15(20)19-18-14-7-6-12-4-2-3-5-13(12)8-14/h10,12-13H,2-9H2,1H3,(H,19,20)/b18-14+/t12-,13+/m0/s1
InChIKeyNZOYLNVMBSJZQZ-SIXPRSDSSA-N
MW305.45 g/mol
LogP3.46
Rot. Bonds3

About N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029908) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029908
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)n1
InChIInChI=1S/C16H23N3OS/c1-11-10-21-16(17-11)9-15(20)19-18-14-7-6-12-4-2-3-5-13(12)8-14/h10,12-13H,2-9H2,1H3,(H,19,20)/b18-14+/t12-,13+/m0/s1
InChIKeyNZOYLNVMBSJZQZ-SIXPRSDSSA-N
XLogP3.46
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.46
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
N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029046
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028987
2-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-2-ylacetamide
CID 110484384
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
CID 9059815
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
CID 103598636
N-[(Z)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-propan-2-yloxybenzamide
CID 9215377
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029908) is N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(CC(=O)N/N=C2\CC[C@@H]3CCCC[C@@H]3C2)n1.
What is the InChIKey of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NZOYLNVMBSJZQZ-SIXPRSDSSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-10-21-16(17-11)9-15(20)19-18-14-7-6-12-4-2-3-5-13(12)8-14/h10,12-13H,2-9H2,1H3,(H,19,20)/b18-14+/t12-,13+/m0/s1.
What are the key properties of N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).