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

C18H21N3OS — CID 9030369

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
SMILESCc1csc(CC(=O)NN=C2CCCC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)11-17(22)21-20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQSUGVIVMPOEPTO-OAHLLOKOSA-N
MW327.45 g/mol
LogP3.82
Rot. Bonds4

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide (PubChem CID 9030369) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
PubChem CID9030369
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
SMILESCc1csc(CC(=O)NN=C2CCCC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)11-17(22)21-20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyQSUGVIVMPOEPTO-OAHLLOKOSA-N
XLogP3.82
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.82
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-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029046
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
2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 11935372
N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028987
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796
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-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030305
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
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 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide (CID 9030369) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide is Cc1csc(CC(=O)NN=C2CCCC[C@@H]2c2ccccc2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide?
The InChIKey is QSUGVIVMPOEPTO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)11-17(22)21-20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide?
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 9030369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).