2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

C14H14N4OS — CID 110337026

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESNc1nc(CC(=O)NN=C/C=C/c2ccccc2)cs1
InChIInChI=1S/C14H14N4OS/c15-14-17-12(10-20-14)9-13(19)18-16-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,17)(H,18,19)/b7-4+,16-8?
InChIKeyNQLBMRPVMHZUIZ-FOGPZANYSA-N
MW286.36 g/mol
LogP2.08
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 110337026) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID110337026
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESNc1nc(CC(=O)NN=C/C=C/c2ccccc2)cs1
InChIInChI=1S/C14H14N4OS/c15-14-17-12(10-20-14)9-13(19)18-16-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,17)(H,18,19)/b7-4+,16-8?
InChIKeyNQLBMRPVMHZUIZ-FOGPZANYSA-N
XLogP2.08
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
ethyl 2-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]acetate
CID 2787799
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
CID 110338471
1,3-bis(cinnamylideneamino)urea
CID 2823909

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 110337026) is 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is Nc1nc(CC(=O)NN=C/C=C/c2ccccc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is NQLBMRPVMHZUIZ-FOGPZANYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-14-17-12(10-20-14)9-13(19)18-16-8-4-7-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,15,17)(H,18,19)/b7-4+,16-8?.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 110337026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).