N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C18H19N3OS — CID 110337371

IUPACN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N/N=C/C1CC=CCC1
InChIInChI=1S/C18H19N3OS/c1-13-16(23-18(20-13)15-10-6-3-7-11-15)17(22)21-19-12-14-8-4-2-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,21,22)/b19-12+
InChIKeyIXIQUVBOAINCRN-XDHOZWIPSA-N
MW325.44 g/mol
LogP4.19
Rot. Bonds4

About N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 110337371) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID110337371
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N/N=C/C1CC=CCC1
InChIInChI=1S/C18H19N3OS/c1-13-16(23-18(20-13)15-10-6-3-7-11-15)17(22)21-19-12-14-8-4-2-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,21,22)/b19-12+
InChIKeyIXIQUVBOAINCRN-XDHOZWIPSA-N
XLogP4.19
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160970
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
4-methyl-2-phenyl-N-[(E)-(2-propoxyphenyl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110338438
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5390946
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 89469656
ethyl 2-[2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 729207
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 110337371) is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)N/N=C/C1CC=CCC1.
What is the InChIKey of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IXIQUVBOAINCRN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-16(23-18(20-13)15-10-6-3-7-11-15)17(22)21-19-12-14-8-4-2-5-9-14/h2-4,6-7,10-12,14H,5,8-9H2,1H3,(H,21,22)/b19-12+.
What are the key properties of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110337371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).