2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide

C15H23N3OS — CID 9463824

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
SMILESCc1nc(CC(=O)N/N=C2\C[C@H](C)CC(C)(C)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-10-5-12(8-15(3,4)7-10)17-18-14(19)6-13-9-20-11(2)16-13/h9-10H,5-8H2,1-4H3,(H,18,19)/b17-12+/t10-/m0/s1
InChIKeySNKARMJYEYVZLG-MFGFFKQHSA-N
MW293.44 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide (PubChem CID 9463824) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
PubChem CID9463824
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
SMILESCc1nc(CC(=O)N/N=C2\C[C@H](C)CC(C)(C)C2)cs1
InChIInChI=1S/C15H23N3OS/c1-10-5-12(8-15(3,4)7-10)17-18-14(19)6-13-9-20-11(2)16-13/h9-10H,5-8H2,1-4H3,(H,18,19)/b17-12+/t10-/m0/s1
InChIKeySNKARMJYEYVZLG-MFGFFKQHSA-N
XLogP3.31
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.31
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-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463859
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-[(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-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463828
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
CID 129434317
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
2-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
CID 3422858

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide (CID 9463824) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide is Cc1nc(CC(=O)N/N=C2\C[C@H](C)CC(C)(C)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The InChIKey is SNKARMJYEYVZLG-MFGFFKQHSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-5-12(8-15(3,4)7-10)17-18-14(19)6-13-9-20-11(2)16-13/h9-10H,5-8H2,1-4H3,(H,18,19)/b17-12+/t10-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide has a molecular weight of 293.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 9463824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).