2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide

C16H16N2OS — CID 134022260

IUPAC2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H16N2OS/c1-3-10-18(11-4-2)16(19)14-12-20-15(17-14)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
InChIKeyMMHVJHXJXWYDKJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.62
Rot. Bonds6

About 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide

2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide (PubChem CID 134022260) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
PubChem CID134022260
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H16N2OS/c1-3-10-18(11-4-2)16(19)14-12-20-15(17-14)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
InChIKeyMMHVJHXJXWYDKJ-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[bis(prop-2-enyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160338
N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 141311933
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
(Z)-2-(2-phenyl-1,3-thiazol-4-yl)but-2-enoic acid
CID 58657658
N-methyl-N-phenyl-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866947
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
2-(2-aminoethyl)-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616267
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135989
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597
2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
CID 115631926

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide (CID 134022260) is 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide is C=CCN(CC=C)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MMHVJHXJXWYDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-10-18(11-4-2)16(19)14-12-20-15(17-14)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2.
What are the key properties of 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).