N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H25N3OS — CID 9463859

IUPACN-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2C[C@@H](C)CC[C@@H]2C(C)C)cs1
InChIInChI=1S/C16H25N3OS/c1-10(2)14-6-5-11(3)7-15(14)18-19-16(20)8-13-9-21-12(4)17-13/h9-11,14H,5-8H2,1-4H3,(H,19,20)/t11-,14+/m0/s1
InChIKeyFGNFNONSQLMOKI-SMDDNHRTSA-N
MW307.46 g/mol
LogP3.56
Rot. Bonds4

About N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463859) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463859
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2C[C@@H](C)CC[C@@H]2C(C)C)cs1
InChIInChI=1S/C16H25N3OS/c1-10(2)14-6-5-11(3)7-15(14)18-19-16(20)8-13-9-21-12(4)17-13/h9-11,14H,5-8H2,1-4H3,(H,19,20)/t11-,14+/m0/s1
InChIKeyFGNFNONSQLMOKI-SMDDNHRTSA-N
XLogP3.56
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.56
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

2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9463824
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-[(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-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463828
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-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463859) is N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NN=C2C[C@@H](C)CC[C@@H]2C(C)C)cs1.
What is the InChIKey of N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FGNFNONSQLMOKI-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-10(2)14-6-5-11(3)7-15(14)18-19-16(20)8-13-9-21-12(4)17-13/h9-11,14H,5-8H2,1-4H3,(H,19,20)/t11-,14+/m0/s1.
What are the key properties of N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).