N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H21N3OS — CID 9029046

IUPACN-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)NN=C2CCCCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-11-10-19-14(15-11)9-13(18)17-16-12-7-5-3-2-4-6-8-12/h10H,2-9H2,1H3,(H,17,18)
InChIKeyDLXDONKVHPRURF-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.21
Rot. Bonds3

About N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029046) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029046
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)NN=C2CCCCCCC2)n1
InChIInChI=1S/C14H21N3OS/c1-11-10-19-14(15-11)9-13(18)17-16-12-7-5-3-2-4-6-8-12/h10H,2-9H2,1H3,(H,17,18)
InChIKeyDLXDONKVHPRURF-UHFFFAOYSA-N
XLogP3.21
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.21
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)-[(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
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-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
2-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-2-ylacetamide
CID 110484384
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
N-(2,2-dimethoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484412
N-(cycloheptylideneamino)-2-pyridin-3-ylacetamide
CID 4206175
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724
CID 131842856
CID 131842856
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029046) is N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(CC(=O)NN=C2CCCCCCC2)n1.
What is the InChIKey of N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DLXDONKVHPRURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-10-19-14(15-11)9-13(18)17-16-12-7-5-3-2-4-6-8-12/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 279.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).