N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C17H21N3OS — CID 8881024

IUPACN-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCCC/C(C)=N\NC(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-3-4-8-13(2)19-20-16(21)11-17-18-15(12-22-17)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,20,21)/b19-13-
InChIKeyLFVMOVKAPSJHGZ-UYRXBGFRSA-N
MW315.44 g/mol
LogP4.03
Rot. Bonds7

About N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 8881024) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID8881024
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCCCC/C(C)=N\NC(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H21N3OS/c1-3-4-8-13(2)19-20-16(21)11-17-18-15(12-22-17)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,20,21)/b19-13-
InChIKeyLFVMOVKAPSJHGZ-UYRXBGFRSA-N
XLogP4.03
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.03
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-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881374
N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767867
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide
CID 157226633
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881280
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767838
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881360
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881635

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 8881024) is N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is CCCC/C(C)=N\NC(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LFVMOVKAPSJHGZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-4-8-13(2)19-20-16(21)11-17-18-15(12-22-17)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8881024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).