2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide

C15H15N3OS — CID 110337024

IUPAC2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NN=C/C=C/c2ccccc2)s1
InChIInChI=1S/C15H15N3OS/c1-11-14(20-12(2)17-11)15(19)18-16-10-6-9-13-7-4-3-5-8-13/h3-10H,1-2H3,(H,18,19)/b9-6+,16-10?
InChIKeyZLTMHTXOVPLVEN-TYKFFIEESA-N
MW285.37 g/mol
LogP3.19
Rot. Bonds4

About 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide (PubChem CID 110337024) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
PubChem CID110337024
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NN=C/C=C/c2ccccc2)s1
InChIInChI=1S/C15H15N3OS/c1-11-14(20-12(2)17-11)15(19)18-16-10-6-9-13-7-4-3-5-8-13/h3-10H,1-2H3,(H,18,19)/b9-6+,16-10?
InChIKeyZLTMHTXOVPLVEN-TYKFFIEESA-N
XLogP3.19
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide (CID 110337024) is 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NN=C/C=C/c2ccccc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ZLTMHTXOVPLVEN-TYKFFIEESA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-14(20-12(2)17-11)15(19)18-16-10-6-9-13-7-4-3-5-8-13/h3-10H,1-2H3,(H,18,19)/b9-6+,16-10?.
What are the key properties of 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110337024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).